methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole

C27H39N3 — CID 160789149

IUPACmethane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole
SMILESC.C.c1ccc(C2CCN(CN3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1
InChIInChI=1S/C25H31N3.2CH4/c1-2-6-20(7-3-1)21-10-14-27(15-11-21)19-28-16-12-22(13-17-28)24-18-26-25-9-5-4-8-23(24)25;;/h1-9,18,21-22,26H,10-17,19H2;2*1H4
InChIKeySBPNXVYSLIYLBU-UHFFFAOYSA-N
MW405.63 g/mol
LogP6.46
Rot. Bonds4

About methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole

methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole (PubChem CID 160789149) has the molecular formula C27H39N3 and a molecular weight of 405.63 g/mol. Its IUPAC name is methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Namemethane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole
PubChem CID160789149
Molecular FormulaC27H39N3
Molecular Weight405.63 g/mol
Exact Mass405.31
IUPAC Namemethane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole
SMILESC.C.c1ccc(C2CCN(CN3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1
InChIInChI=1S/C25H31N3.2CH4/c1-2-6-20(7-3-1)21-10-14-27(15-11-21)19-28-16-12-22(13-17-28)24-18-26-25-9-5-4-8-23(24)25;;/h1-9,18,21-22,26H,10-17,19H2;2*1H4
InChIKeySBPNXVYSLIYLBU-UHFFFAOYSA-N
XLogP6.46
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.63
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane
CID 158590362
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210
3-[1-(2,3-dihydroindol-1-ylmethyl)piperidin-4-yl]-1H-indole
CID 59108468
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
CID 18001248
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole
CID 67426458
3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
CID 67753677
methane;3-piperidin-4-yl-1H-indole
CID 70444570
3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole
CID 144855106
N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide
CID 54526531
1-anilino-3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-2-ol
CID 23392120

Frequently Asked Questions

What is the IUPAC name of methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole?
The IUPAC name of methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole (CID 160789149) is methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole.
What is the SMILES notation for methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole?
The canonical SMILES for methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole is C.C.c1ccc(C2CCN(CN3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1.
What is the InChIKey of methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole?
The InChIKey is SBPNXVYSLIYLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3.2CH4/c1-2-6-20(7-3-1)21-10-14-27(15-11-21)19-28-16-12-22(13-17-28)24-18-26-25-9-5-4-8-23(24)25;;/h1-9,18,21-22,26H,10-17,19H2;2*1H4.
What are the key properties of methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole?
methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole has a molecular weight of 405.63 g/mol, XLogP of 6.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole is sourced from PubChem (CID 160789149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).