ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane

C24H33NO2 — CID 158654311

IUPACethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane
SMILESC.CCOC(=O)CCN1CCC(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H29NO2.CH4/c1-2-26-22(25)15-18-24-16-13-21(14-17-24)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,21,23H,2,13-18H2,1H3;1H4
InChIKeyIBYAZKXDCIIGGB-UHFFFAOYSA-N
MW367.53 g/mol
LogP5.12
Rot. Bonds7

About ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane

ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane (PubChem CID 158654311) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane.

Molecular Properties

Compound Nameethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane
PubChem CID158654311
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Nameethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane
SMILESC.CCOC(=O)CCN1CCC(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H29NO2.CH4/c1-2-26-22(25)15-18-24-16-13-21(14-17-24)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,21,23H,2,13-18H2,1H3;1H4
InChIKeyIBYAZKXDCIIGGB-UHFFFAOYSA-N
XLogP5.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate
CID 110922539
ethyl 3-[4-[[(S)-(2-methoxyphenyl)-phenylmethyl]amino]piperidin-1-yl]propanoate
CID 97335092
ethyl 3-[4-[[(R)-(2-methoxyphenyl)-phenylmethyl]amino]piperidin-1-yl]propanoate
CID 97335093
tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate
CID 110903431
[[(2R)-3-oxo-1-sulfanylhexan-2-yl]amino] 3-(4-benzhydrylpiperidin-1-yl)propanoate
CID 59641783
ethyl 3-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propanoate
CID 10069658
4-(4-benzhydrylpiperidin-1-yl)butan-1-amine
CID 21192630
ethyl 6-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]hexanoate
CID 19874399
ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate
CID 43365504
ethyl 3-[4-[3-[(4-fluorophenyl)-phenylmethoxy]propyl]piperazin-1-yl]propanoate;dihydrochloride
CID 70625738
4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol
CID 19937449
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
CID 119134519

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane?
The IUPAC name of ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane (CID 158654311) is ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane.
What is the SMILES notation for ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane?
The canonical SMILES for ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane is C.CCOC(=O)CCN1CCC(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane?
The InChIKey is IBYAZKXDCIIGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2.CH4/c1-2-26-22(25)15-18-24-16-13-21(14-17-24)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,21,23H,2,13-18H2,1H3;1H4.
What are the key properties of ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane?
ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane has a molecular weight of 367.53 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane is sourced from PubChem (CID 158654311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).