tert-butyl 4-[(1R)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[(1S)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate

C75H111N9O9 — CID 159564458

IUPACtert-butyl 4-[(1R)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[(1S)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1.CC(C)(C)OC(=O)N1CCC([C@@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1.CC(C)(C)OC(=O)N1CCC([C@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1
InChIInChI=1S/3C25H37N3O3/c3*1-25(2,3)31-24(30)28-14-10-19(11-15-28)23(17-29)27-12-8-18(9-13-27)21-16-26-22-7-5-4-6-20(21)22/h3*4-7,16,18-19,23,26,29H,8-15,17H2,1-3H3/t2*23-;/m10./s1
InChIKeyMHAIAUDTCYYAAR-MIKFXDAHSA-N
MW1282.77 g/mol
LogP13.07
Rot. Bonds12

About tert-butyl 4-[(1R)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[(1S)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate

tert-butyl 4-[(1R)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[(1S)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate (PubChem CID 159564458) has the molecular formula C75H111N9O9 and a molecular weight of 1282.77 g/mol. Its IUPAC name is tert-butyl 4-[(1R)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[(1S)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1R)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[(1S)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate
PubChem CID159564458
Molecular FormulaC75H111N9O9
Molecular Weight1282.77 g/mol
Exact Mass1281.85
IUPAC Nametert-butyl 4-[(1R)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[(1S)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1.CC(C)(C)OC(=O)N1CCC([C@@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1.CC(C)(C)OC(=O)N1CCC([C@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1
InChIInChI=1S/3C25H37N3O3/c3*1-25(2,3)31-24(30)28-14-10-19(11-15-28)23(17-29)27-12-8-18(9-13-27)21-16-26-22-7-5-4-6-20(21)22/h3*4-7,16,18-19,23,26,29H,8-15,17H2,1-3H3/t2*23-;/m10./s1
InChIKeyMHAIAUDTCYYAAR-MIKFXDAHSA-N
XLogP13.07
TPSA206.40 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001282.77
LogP ≤ 513.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl 4-[(1R)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[(1S)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-[(E)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)prop-2-enyl]indole-1-carboxylate
CID 101878835
2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-[1-[(3-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid;2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-[1-[(4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid;2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-[1-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]acetic acid
CID 157571125
tert-butyl 4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;1,1,1,4,4,4-hexafluorobutane-2,3-dione;2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-piperidin-4-ylethanol
CID 157908090
(E)-3-(3,5-difluorophenyl)-1-[4-[3-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]piperidin-1-yl]prop-2-en-1-one;(E)-3-(3,5-difluorophenyl)prop-2-enoic acid;1,1,1,4,4,4-hexafluorobutane-2,3-dione;2-[4-(1H-indol-3-yl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-ol
CID 158502263
tert-butyl 4-[3-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]piperidine-1-carboxylate;dichloromethane;1,1,1,4,4,4-hexafluorobutane-2,3-dione;2-[4-(1H-indol-3-yl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-ol
CID 159790682
1,1,1,4,4,4-hexafluorobutane-2,3-dione;(E)-1-[4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]-3-(3,4,5-trifluorophenyl)prop-2-en-1-one;2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-piperidin-4-ylethanol;(E)-3-(3,4,5-trifluorophenyl)prop-2-enoyl chloride
CID 160872575
4-{2-hydroxy-1-[4-(1H-indol-3-yl)-piperidin-1-yl]-ethyl}-piperidine-1-carboxylic acid tert-butyl ester
CID 58617600
tert-butyl 4-[(1S)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate
CID 58617603
tert-butyl 4-[(1R)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate
CID 58617662
4-{3-hydroxy-2-[4-(1H-indol-3-yl)-piperidin-1-yl]-propyl}-piperidine-1-carboxylic acid tert-butyl ester
CID 58950852
tert-butyl 4-[2-amino-2-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]ethyl]piperidine-1-carboxylate
CID 123560284
tert-butyl 4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;ethane
CID 143208430

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1R)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[(1S)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1R)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[(1S)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate (CID 159564458) is tert-butyl 4-[(1R)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[(1S)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1R)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[(1S)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1R)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[(1S)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1.CC(C)(C)OC(=O)N1CCC([C@@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1.CC(C)(C)OC(=O)N1CCC([C@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1.
What is the InChIKey of tert-butyl 4-[(1R)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[(1S)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate?
The InChIKey is MHAIAUDTCYYAAR-MIKFXDAHSA-N. The full InChI is InChI=1S/3C25H37N3O3/c3*1-25(2,3)31-24(30)28-14-10-19(11-15-28)23(17-29)27-12-8-18(9-13-27)21-16-26-22-7-5-4-6-20(21)22/h3*4-7,16,18-19,23,26,29H,8-15,17H2,1-3H3/t2*23-;/m10./s1.
What are the key properties of tert-butyl 4-[(1R)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[(1S)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate?
tert-butyl 4-[(1R)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[(1S)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate has a molecular weight of 1282.77 g/mol, XLogP of 13.07, 12 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1R)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[(1S)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 159564458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).