4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol

C14H27NO — CID 62611262

IUPAC4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN2CCCC2)C1
InChIInChI=1S/C14H27NO/c1-2-5-12-6-7-14(16)13(10-12)11-15-8-3-4-9-15/h12-14,16H,2-11H2,1H3
InChIKeyGJCGHGDJKZFZTR-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.66
Rot. Bonds4

About 4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol

4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol (PubChem CID 62611262) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
PubChem CID62611262
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN2CCCC2)C1
InChIInChI=1S/C14H27NO/c1-2-5-12-6-7-14(16)13(10-12)11-15-8-3-4-9-15/h12-14,16H,2-11H2,1H3
InChIKeyGJCGHGDJKZFZTR-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-ol
CID 62610564
4-ethyl-2-[(4-propylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 62611300
2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-ol
CID 63002763
2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol
CID 62610219
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-ol
CID 63169050
N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 62616394
2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 62616400
2-[(2-ethylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-ol
CID 62611119
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-4-propylcyclohexan-1-ol
CID 65324367
1-[(2-amino-5-propylcyclohexyl)methyl]pyrrolidine-3,4-diol
CID 106674036
1-[(2-amino-5-propylcyclohexyl)methyl]-3-methylpiperidin-4-ol
CID 114681929
2-(3-hydroxypropyl)-4-propylcyclohexan-1-ol
CID 79422814

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol (CID 62611262) is 4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol is CCCC1CCC(O)C(CN2CCCC2)C1.
What is the InChIKey of 4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol?
The InChIKey is GJCGHGDJKZFZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-5-12-6-7-14(16)13(10-12)11-15-8-3-4-9-15/h12-14,16H,2-11H2,1H3.
What are the key properties of 4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol?
4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 62611262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).