1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol

C20H32N2O2 — CID 111106170

IUPAC1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCOc1ccc(C2CCN(CC(O)CN3CCC(C)CC3)C2)cc1
InChIInChI=1S/C20H32N2O2/c1-16-7-10-21(11-8-16)14-19(23)15-22-12-9-18(13-22)17-3-5-20(24-2)6-4-17/h3-6,16,18-19,23H,7-15H2,1-2H3
InChIKeyWHTWLWSWBGEQJW-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.58
Rot. Bonds6

About 1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol

1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 111106170) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID111106170
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCOc1ccc(C2CCN(CC(O)CN3CCC(C)CC3)C2)cc1
InChIInChI=1S/C20H32N2O2/c1-16-7-10-21(11-8-16)14-19(23)15-22-12-9-18(13-22)17-3-5-20(24-2)6-4-17/h3-6,16,18-19,23H,7-15H2,1-2H3
InChIKeyWHTWLWSWBGEQJW-UHFFFAOYSA-N
XLogP2.58
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110913043
2-[4-(4-methoxyphenyl)piperidin-1-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 143576498
1-[1-(2,5-dimethoxyphenyl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904967
1-[2-(4-methoxyphenyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 110882272
(2R)-1-[12-[(2S)-2-hydroxy-3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 124770147
N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 1077010
4-(4-methoxyphenyl)-1-(4-methylcyclohexyl)piperidine
CID 175937232
1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904927
1-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 54944956
2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 94797807
1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate
CID 144745908
cyclopropyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 73168589

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 111106170) is 1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol is COc1ccc(C2CCN(CC(O)CN3CCC(C)CC3)C2)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is WHTWLWSWBGEQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-16-7-10-21(11-8-16)14-19(23)15-22-12-9-18(13-22)17-3-5-20(24-2)6-4-17/h3-6,16,18-19,23H,7-15H2,1-2H3.
What are the key properties of 1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 332.49 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 111106170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).