4-(azetidin-1-ylmethyl)azepan-4-ol

C10H20N2O — CID 84718848

IUPAC4-(azetidin-1-ylmethyl)azepan-4-ol
SMILESOC1(CN2CCC2)CCCNCC1
InChIInChI=1S/C10H20N2O/c13-10(9-12-7-2-8-12)3-1-5-11-6-4-10/h11,13H,1-9H2
InChIKeyKDGVZKQRLUKFKL-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.20
Rot. Bonds2

About 4-(azetidin-1-ylmethyl)azepan-4-ol

4-(azetidin-1-ylmethyl)azepan-4-ol (PubChem CID 84718848) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(azetidin-1-ylmethyl)azepan-4-ol.

Molecular Properties

Compound Name4-(azetidin-1-ylmethyl)azepan-4-ol
PubChem CID84718848
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-(azetidin-1-ylmethyl)azepan-4-ol
SMILESOC1(CN2CCC2)CCCNCC1
InChIInChI=1S/C10H20N2O/c13-10(9-12-7-2-8-12)3-1-5-11-6-4-10/h11,13H,1-9H2
InChIKeyKDGVZKQRLUKFKL-UHFFFAOYSA-N
XLogP0.20
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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-(piperazin-1-ylmethyl)cyclobutan-1-ol
CID 82503232
1-(azetidin-1-ylmethyl)cyclohexan-1-ol
CID 84731810
4-(3-azaspiro[5.5]undecan-3-ylmethyl)piperidin-4-ol
CID 62936913
(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 129407519
3-(azocan-1-ylmethyl)pyrrolidin-3-ol
CID 84679274
1-[(4-hydroxypiperidin-4-yl)methyl]piperidin-4-one
CID 126846921
4-[(3-fluoropiperidin-1-yl)methyl]piperidin-4-ol
CID 126846041
4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol
CID 55048859
3-(morpholin-4-ylmethyl)pyrrolidin-3-ol;dihydrochloride
CID 146675400
4-[(4-hydroxypiperidin-4-yl)methyl]-1-methylpiperazin-2-one
CID 64693846
4-[(3-ethylazetidin-1-yl)methyl]piperidin-4-ol
CID 131146550
4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]piperidin-4-ol
CID 162742269

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-ylmethyl)azepan-4-ol?
The IUPAC name of 4-(azetidin-1-ylmethyl)azepan-4-ol (CID 84718848) is 4-(azetidin-1-ylmethyl)azepan-4-ol.
What is the SMILES notation for 4-(azetidin-1-ylmethyl)azepan-4-ol?
The canonical SMILES for 4-(azetidin-1-ylmethyl)azepan-4-ol is OC1(CN2CCC2)CCCNCC1.
What is the InChIKey of 4-(azetidin-1-ylmethyl)azepan-4-ol?
The InChIKey is KDGVZKQRLUKFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c13-10(9-12-7-2-8-12)3-1-5-11-6-4-10/h11,13H,1-9H2.
What are the key properties of 4-(azetidin-1-ylmethyl)azepan-4-ol?
4-(azetidin-1-ylmethyl)azepan-4-ol has a molecular weight of 184.28 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-ylmethyl)azepan-4-ol is sourced from PubChem (CID 84718848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).