2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol

C14H27NO — CID 62707731

IUPAC2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC1CCN(C2CC(C(C)C)CCC2O)C1
InChIInChI=1S/C14H27NO/c1-10(2)12-4-5-14(16)13(8-12)15-7-6-11(3)9-15/h10-14,16H,4-9H2,1-3H3
InChIKeyZDQGALKQESELBQ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.51
Rot. Bonds2

About 2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol

2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 62707731) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID62707731
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC1CCN(C2CC(C(C)C)CCC2O)C1
InChIInChI=1S/C14H27NO/c1-10(2)12-4-5-14(16)13(8-12)15-7-6-11(3)9-15/h10-14,16H,4-9H2,1-3H3
InChIKeyZDQGALKQESELBQ-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-propan-2-ylcyclohexan-1-ol
CID 79174564
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-ol
CID 79934726
2-(4,4-dimethylpiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62931964
2-(4-cyclopentylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62708468
2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62704133
trans-(1R,2R)-2-(3-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 102734436
2-(4,4-dimethylazepan-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 65281648
2-[(3-methylpyrrolidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62703990
(1R,6R,7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol
CID 11148002
[2-(3-methylpyrrolidin-1-yl)cyclopropyl]methanol
CID 130643194
4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-ol
CID 61224263
cis-(1S,5R)-2-methyl-5-propan-2-ylcyclohexan-1-ol
CID 168820123

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol (CID 62707731) is 2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol is CC1CCN(C2CC(C(C)C)CCC2O)C1.
What is the InChIKey of 2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is ZDQGALKQESELBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-10(2)12-4-5-14(16)13(8-12)15-7-6-11(3)9-15/h10-14,16H,4-9H2,1-3H3.
What are the key properties of 2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol?
2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 62707731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).