2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone

C18H26N2O3 — CID 1446395

IUPAC2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCOc1cccc(C2(O)CCN(CC(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C18H26N2O3/c1-23-16-6-4-5-15(13-16)18(22)7-11-19(12-8-18)14-17(21)20-9-2-3-10-20/h4-6,13,22H,2-3,7-12,14H2,1H3
InChIKeyDNATWNPPHNLLLC-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.60
Rot. Bonds4

About 2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 1446395) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID1446395
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCOc1cccc(C2(O)CCN(CC(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C18H26N2O3/c1-23-16-6-4-5-15(13-16)18(22)7-11-19(12-8-18)14-17(21)20-9-2-3-10-20/h4-6,13,22H,2-3,7-12,14H2,1H3
InChIKeyDNATWNPPHNLLLC-UHFFFAOYSA-N
XLogP1.60
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 10251351
1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 126468362
S-tert-butyl 4-hydroxy-4-(3-methoxyphenyl)azepane-1-carbothioate
CID 144525750
1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 68523754
N-[4-(4-methoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]acetamide
CID 18524608
4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
CID 1446411
1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one
CID 67760392
1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
CID 10836668
4-(3-methoxyphenyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol
CID 66783418
1-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]-2,2-diphenylethanone
CID 11632745
N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 46965093
2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 17471888

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone (CID 1446395) is 2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone is COc1cccc(C2(O)CCN(CC(=O)N3CCCC3)CC2)c1.
What is the InChIKey of 2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is DNATWNPPHNLLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-23-16-6-4-5-15(13-16)18(22)7-11-19(12-8-18)14-17(21)20-9-2-3-10-20/h4-6,13,22H,2-3,7-12,14H2,1H3.
What are the key properties of 2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 318.42 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 1446395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).