1-pyrrolidin-3-ylazepan-4-ol

C10H20N2O — CID 115016770

IUPAC1-pyrrolidin-3-ylazepan-4-ol
SMILESOC1CCCN(C2CCNC2)CC1
InChIInChI=1S/C10H20N2O/c13-10-2-1-6-12(7-4-10)9-3-5-11-8-9/h9-11,13H,1-8H2
InChIKeyVSVHUIUAMZWNCN-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.20
Rot. Bonds1

About 1-pyrrolidin-3-ylazepan-4-ol

1-pyrrolidin-3-ylazepan-4-ol (PubChem CID 115016770) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-pyrrolidin-3-ylazepan-4-ol.

Molecular Properties

Compound Name1-pyrrolidin-3-ylazepan-4-ol
PubChem CID115016770
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-pyrrolidin-3-ylazepan-4-ol
SMILESOC1CCCN(C2CCNC2)CC1
InChIInChI=1S/C10H20N2O/c13-10-2-1-6-12(7-4-10)9-3-5-11-8-9/h9-11,13H,1-8H2
InChIKeyVSVHUIUAMZWNCN-UHFFFAOYSA-N
XLogP0.20
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyrrolidin-3-ylpyrrolidin-3-ol
CID 53407971
3-(azetidin-1-yl)pyrrolidine;hydrochloride
CID 53414698
(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;hydrochloride
CID 71607215
4-methyl-1-pyrrolidin-3-ylpiperidin-3-ol
CID 102969108
(3R)-3-fluoro-1-[(3R)-pyrrolidin-3-yl]pyrrolidine
CID 123801456
1-methyl-4-pyrrolidin-3-yl-1,4-diazepane
CID 23282605
(1S)-2-[[1-[(3S)-pyrrolidin-3-yl]piperidin-4-yl]amino]cyclohexan-1-ol
CID 70252269
N,N-dimethyl-1-pyrrolidin-3-ylpiperidin-4-amine
CID 62328090
(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;methanol
CID 142143795
4-ethyl-1-pyrrolidin-3-ylpiperidine
CID 62328798
8-pyrrolidin-3-yl-8-azaspiro[4.5]decane
CID 63160445
4-fluoro-1-piperidin-3-ylpiperidine
CID 115017121

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-ylazepan-4-ol?
The IUPAC name of 1-pyrrolidin-3-ylazepan-4-ol (CID 115016770) is 1-pyrrolidin-3-ylazepan-4-ol.
What is the SMILES notation for 1-pyrrolidin-3-ylazepan-4-ol?
The canonical SMILES for 1-pyrrolidin-3-ylazepan-4-ol is OC1CCCN(C2CCNC2)CC1.
What is the InChIKey of 1-pyrrolidin-3-ylazepan-4-ol?
The InChIKey is VSVHUIUAMZWNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c13-10-2-1-6-12(7-4-10)9-3-5-11-8-9/h9-11,13H,1-8H2.
What are the key properties of 1-pyrrolidin-3-ylazepan-4-ol?
1-pyrrolidin-3-ylazepan-4-ol has a molecular weight of 184.28 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-ylazepan-4-ol is sourced from PubChem (CID 115016770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).