1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azepan-4-ol

C15H30N2O — CID 131923534

IUPAC1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azepan-4-ol
SMILESCC(C)(CN1CCCC1)CN1CCCC(O)CC1
InChIInChI=1S/C15H30N2O/c1-15(2,12-16-8-3-4-9-16)13-17-10-5-6-14(18)7-11-17/h14,18H,3-13H2,1-2H3
InChIKeyWFRZVBVAQZYQRE-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.96
Rot. Bonds4

About 1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azepan-4-ol

1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azepan-4-ol (PubChem CID 131923534) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azepan-4-ol.

Molecular Properties

Compound Name1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azepan-4-ol
PubChem CID131923534
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azepan-4-ol
SMILESCC(C)(CN1CCCC1)CN1CCCC(O)CC1
InChIInChI=1S/C15H30N2O/c1-15(2,12-16-8-3-4-9-16)13-17-10-5-6-14(18)7-11-17/h14,18H,3-13H2,1-2H3
InChIKeyWFRZVBVAQZYQRE-UHFFFAOYSA-N
XLogP1.96
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2,2-dimethylpropyl)piperidin-4-ol
CID 65000596
1-(2-hydroxy-2-methylpropyl)piperidin-4-ol
CID 60886320
1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol
CID 62263335
(4R)-1-(2-methylpropyl)azepan-4-ol
CID 171753262
1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-ol
CID 114448862
2-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpentanal
CID 62277702
1-tert-butylazocan-5-ol
CID 137410769
1-[2-(hydroxymethyl)-2-methylpentyl]piperidin-4-ol
CID 62272555
N-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine
CID 62262081
1-(2,2-dimethylpropyl)-4-methylazepane
CID 142575360
N-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine
CID 55249989
1-(3-bromo-2,2-dimethylpropyl)-4-propylazepane
CID 64997751

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azepan-4-ol?
The IUPAC name of 1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azepan-4-ol (CID 131923534) is 1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azepan-4-ol.
What is the SMILES notation for 1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azepan-4-ol?
The canonical SMILES for 1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azepan-4-ol is CC(C)(CN1CCCC1)CN1CCCC(O)CC1.
What is the InChIKey of 1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azepan-4-ol?
The InChIKey is WFRZVBVAQZYQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-15(2,12-16-8-3-4-9-16)13-17-10-5-6-14(18)7-11-17/h14,18H,3-13H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azepan-4-ol?
1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azepan-4-ol has a molecular weight of 254.42 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azepan-4-ol is sourced from PubChem (CID 131923534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).