[1-(azepan-4-yl)pyrrolidin-2-yl]methanol

C11H22N2O — CID 84668410

IUPAC[1-(azepan-4-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1C1CCCNCC1
InChIInChI=1S/C11H22N2O/c14-9-11-4-2-8-13(11)10-3-1-6-12-7-5-10/h10-12,14H,1-9H2
InChIKeyMBXYWIZRTVQECX-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.59
Rot. Bonds2

About [1-(azepan-4-yl)pyrrolidin-2-yl]methanol

[1-(azepan-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 84668410) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is [1-(azepan-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(azepan-4-yl)pyrrolidin-2-yl]methanol
PubChem CID84668410
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name[1-(azepan-4-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1C1CCCNCC1
InChIInChI=1S/C11H22N2O/c14-9-11-4-2-8-13(11)10-3-1-6-12-7-5-10/h10-12,14H,1-9H2
InChIKeyMBXYWIZRTVQECX-UHFFFAOYSA-N
XLogP0.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol
CID 11344137
2-[1-(azepan-4-yl)piperidin-2-yl]ethanol
CID 103983135
[(3R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methanol
CID 169000645
1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-4-ylmethanol
CID 59215878
4-(2,3-dimethylpiperidin-1-yl)azepane
CID 63903287
4-[2-(hydroxymethyl)piperidin-1-yl]azepan-2-one
CID 63887904
2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol
CID 130941698
2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolidin-3-ol
CID 54174381
[1-(oxan-4-yl)piperidin-2-yl]methanol
CID 63937117
2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol
CID 84653848
[(2S)-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate
CID 174707492
(4-methyl-1-piperidin-3-ylpiperazin-2-yl)methanol
CID 83821353

Frequently Asked Questions

What is the IUPAC name of [1-(azepan-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(azepan-4-yl)pyrrolidin-2-yl]methanol (CID 84668410) is [1-(azepan-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(azepan-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(azepan-4-yl)pyrrolidin-2-yl]methanol is OCC1CCCN1C1CCCNCC1.
What is the InChIKey of [1-(azepan-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is MBXYWIZRTVQECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c14-9-11-4-2-8-13(11)10-3-1-6-12-7-5-10/h10-12,14H,1-9H2.
What are the key properties of [1-(azepan-4-yl)pyrrolidin-2-yl]methanol?
[1-(azepan-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 198.31 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azepan-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 84668410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).