[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride

C18H27ClN2O2 — CID 119765874

IUPAC[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCOc1ccc(CC2CCN(C(=O)C3CCNC3)CC2)cc1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-22-17-4-2-14(3-5-17)12-15-7-10-20(11-8-15)18(21)16-6-9-19-13-16;/h2-5,15-16,19H,6-13H2,1H3;1H
InChIKeyBDYUOCQRDMRUSB-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.51
Rot. Bonds4

About [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride

[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride (PubChem CID 119765874) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
PubChem CID119765874
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCOc1ccc(CC2CCN(C(=O)C3CCNC3)CC2)cc1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-22-17-4-2-14(3-5-17)12-15-7-10-20(11-8-15)18(21)16-6-9-19-13-16;/h2-5,15-16,19H,6-13H2,1H3;1H
InChIKeyBDYUOCQRDMRUSB-UHFFFAOYSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
CID 119313293
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119765866
3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119754727
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119678710
1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119765845
3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981397
3-(4-methoxyphenyl)-1-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119311324
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119865560
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119765850
1-hydroxy-4-[(4-methoxyphenyl)methyl]piperidine
CID 122445485
[2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate
CID 46086832
(2S)-2-amino-1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119765846

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The IUPAC name of [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride (CID 119765874) is [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The canonical SMILES for [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride is COc1ccc(CC2CCN(C(=O)C3CCNC3)CC2)cc1.Cl.
What is the InChIKey of [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The InChIKey is BDYUOCQRDMRUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-22-17-4-2-14(3-5-17)12-15-7-10-20(11-8-15)18(21)16-6-9-19-13-16;/h2-5,15-16,19H,6-13H2,1H3;1H.
What are the key properties of [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119765874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).