[1-(3-methoxycyclohexyl)-3-methylpyrrolidin-2-yl]methanol

C13H25NO2 — CID 102788975

IUPAC[1-(3-methoxycyclohexyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCOC1CCCC(N2CCC(C)C2CO)C1
InChIInChI=1S/C13H25NO2/c1-10-6-7-14(13(10)9-15)11-4-3-5-12(8-11)16-2/h10-13,15H,3-9H2,1-2H3
InChIKeyYHYRDEDPNJIXJK-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.65
Rot. Bonds3

About [1-(3-methoxycyclohexyl)-3-methylpyrrolidin-2-yl]methanol

[1-(3-methoxycyclohexyl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102788975) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is [1-(3-methoxycyclohexyl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-methoxycyclohexyl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102788975
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name[1-(3-methoxycyclohexyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCOC1CCCC(N2CCC(C)C2CO)C1
InChIInChI=1S/C13H25NO2/c1-10-6-7-14(13(10)9-15)11-4-3-5-12(8-11)16-2/h10-13,15H,3-9H2,1-2H3
InChIKeyYHYRDEDPNJIXJK-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylbutan-2-ol
CID 10631918
(1-Ethyl-4,5-dimethylpyrrolidin-2-yl)methanol
CID 58067546
(1,4,5-Trimethylpyrrolidin-2-yl)methanol
CID 58067679
(1S)-2-(3-methylpyrrolidin-1-yl)cyclohexan-1-ol
CID 58870419
(1S)-2-[(3S)-3-methylpyrrolidin-1-yl]cyclohexan-1-ol
CID 58870424
cis-(1S,2R)-2-[(3R)-3-methylpyrrolidin-1-yl]cyclohexan-1-ol
CID 59004689
2-[(3R)-3-methylpyrrolidin-1-yl]cyclohexan-1-ol
CID 59004691
(1S)-2-[(3R)-3-methylpyrrolidin-1-yl]cyclohexan-1-ol
CID 59422487
5-(1-Hydroxyethyl)-1-(2-methylpropyl)pyrrolidin-3-ol
CID 60043733
2-(3-Methylpyrrolidin-1-yl)cyclohexan-1-ol
CID 61224261
(1S,2S,6R)-2-methoxy-6-pyrrolidin-1-ylcyclohexan-1-ol
CID 67880132
2-Methoxy-6-pyrrolidin-1-ylcyclohexan-1-ol
CID 67880133

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxycyclohexyl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-methoxycyclohexyl)-3-methylpyrrolidin-2-yl]methanol (CID 102788975) is [1-(3-methoxycyclohexyl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-methoxycyclohexyl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-methoxycyclohexyl)-3-methylpyrrolidin-2-yl]methanol is COC1CCCC(N2CCC(C)C2CO)C1.
What is the InChIKey of [1-(3-methoxycyclohexyl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is YHYRDEDPNJIXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10-6-7-14(13(10)9-15)11-4-3-5-12(8-11)16-2/h10-13,15H,3-9H2,1-2H3.
What are the key properties of [1-(3-methoxycyclohexyl)-3-methylpyrrolidin-2-yl]methanol?
[1-(3-methoxycyclohexyl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 227.35 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxycyclohexyl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).