1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol

C18H28N2O2 — CID 45242464

IUPAC1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol
SMILESCOc1cccc(C2CCCN2CCN2CCC(O)CC2)c1
InChIInChI=1S/C18H28N2O2/c1-22-17-5-2-4-15(14-17)18-6-3-9-20(18)13-12-19-10-7-16(21)8-11-19/h2,4-5,14,16,18,21H,3,6-13H2,1H3
InChIKeyBDSAYMXVYKSBMI-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.29
Rot. Bonds5

About 1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol

1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol (PubChem CID 45242464) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol
PubChem CID45242464
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol
SMILESCOc1cccc(C2CCCN2CCN2CCC(O)CC2)c1
InChIInChI=1S/C18H28N2O2/c1-22-17-5-2-4-15(14-17)18-6-3-9-20(18)13-12-19-10-7-16(21)8-11-19/h2,4-5,14,16,18,21H,3,6-13H2,1H3
InChIKeyBDSAYMXVYKSBMI-UHFFFAOYSA-N
XLogP2.29
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278
3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid
CID 95716440
ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate
CID 51075197
N-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide
CID 94797205
N-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide
CID 51313431
1-[2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 82083424
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86916010
1-[3-(benzenesulfonyl)propyl]-2-(3-methoxyphenyl)pyrrolidine
CID 55923064
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 100849850
1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 78834159

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol (CID 45242464) is 1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol is COc1cccc(C2CCCN2CCN2CCC(O)CC2)c1.
What is the InChIKey of 1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol?
The InChIKey is BDSAYMXVYKSBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-22-17-5-2-4-15(14-17)18-6-3-9-20(18)13-12-19-10-7-16(21)8-11-19/h2,4-5,14,16,18,21H,3,6-13H2,1H3.
What are the key properties of 1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol?
1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol has a molecular weight of 304.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol is sourced from PubChem (CID 45242464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).