tert-butyl 4-(2-hydroxy-3-piperidin-4-ylpropyl)piperidine-1-carboxylate

C18H34N2O3 — CID 177321351

IUPACtert-butyl 4-(2-hydroxy-3-piperidin-4-ylpropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(O)CC2CCNCC2)CC1
InChIInChI=1S/C18H34N2O3/c1-18(2,3)23-17(22)20-10-6-15(7-11-20)13-16(21)12-14-4-8-19-9-5-14/h14-16,19,21H,4-13H2,1-3H3
InChIKeyACHYPUVTTGTGDV-UHFFFAOYSA-N
MW326.48 g/mol
LogP2.77
Rot. Bonds4

About tert-butyl 4-(2-hydroxy-3-piperidin-4-ylpropyl)piperidine-1-carboxylate

tert-butyl 4-(2-hydroxy-3-piperidin-4-ylpropyl)piperidine-1-carboxylate (PubChem CID 177321351) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl 4-(2-hydroxy-3-piperidin-4-ylpropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-hydroxy-3-piperidin-4-ylpropyl)piperidine-1-carboxylate
PubChem CID177321351
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl 4-(2-hydroxy-3-piperidin-4-ylpropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(O)CC2CCNCC2)CC1
InChIInChI=1S/C18H34N2O3/c1-18(2,3)23-17(22)20-10-6-15(7-11-20)13-16(21)12-14-4-8-19-9-5-14/h14-16,19,21H,4-13H2,1-3H3
InChIKeyACHYPUVTTGTGDV-UHFFFAOYSA-N
XLogP2.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 4-(hydroxy(piperidin-4-yl)methyl)piperidine-1-carboxylate
CID 155893615
Tert-butyl 4-(3-amino-2-hydroxypropyl)piperidine-1-carboxylate
CID 58295653
1,1-Dimethylethyl 3-[1-hydroxy-2-(1-piperidinyl)ethyl]-1-piperidinecarboxylate
CID 58737432
Tert-butyl 4-[2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate
CID 67033594
tert-butyl (3S)-2-bromo-3-hydroxy-2-piperidin-4-ylpiperidine-1-carboxylate
CID 68619972
Tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;piperidine
CID 68644959
3-[1-Hydroxy-2-methyl-3-(2-methylpropylamino)propyl]piperidine-1-carboxylic acid
CID 68849067
3-[1-Hydroxy-4-(2-methylpropylamino)butyl]piperidine-1-carboxylic acid
CID 68849549
2,2-Bis[(1-tert-butoxycarbonyl-4-piperidinyl)methyl]ethyl alcohol
CID 69492381
2-Piperidin-4-ylethyl 2-tert-butyl-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 69707907
Tert-butyl 4-[11-(1-hydroxybutyl)-3,9-diazaspiro[5.5]undecan-3-yl]-4-methylpiperidine-1-carboxylate
CID 71025658
Tert-butyl 3-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
CID 82385597

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-hydroxy-3-piperidin-4-ylpropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-hydroxy-3-piperidin-4-ylpropyl)piperidine-1-carboxylate (CID 177321351) is tert-butyl 4-(2-hydroxy-3-piperidin-4-ylpropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-hydroxy-3-piperidin-4-ylpropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-hydroxy-3-piperidin-4-ylpropyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC(O)CC2CCNCC2)CC1.
What is the InChIKey of tert-butyl 4-(2-hydroxy-3-piperidin-4-ylpropyl)piperidine-1-carboxylate?
The InChIKey is ACHYPUVTTGTGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-18(2,3)23-17(22)20-10-6-15(7-11-20)13-16(21)12-14-4-8-19-9-5-14/h14-16,19,21H,4-13H2,1-3H3.
What are the key properties of tert-butyl 4-(2-hydroxy-3-piperidin-4-ylpropyl)piperidine-1-carboxylate?
tert-butyl 4-(2-hydroxy-3-piperidin-4-ylpropyl)piperidine-1-carboxylate has a molecular weight of 326.48 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-hydroxy-3-piperidin-4-ylpropyl)piperidine-1-carboxylate is sourced from PubChem (CID 177321351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).