[1,6-dimethyl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-2-yl]methanol

C14H23N3O — CID 91130399

IUPAC[1,6-dimethyl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-2-yl]methanol
SMILESCc1ccc(N2CC(C)CN(C)C(CO)C2)cn1
InChIInChI=1S/C14H23N3O/c1-11-7-16(3)14(10-18)9-17(8-11)13-5-4-12(2)15-6-13/h4-6,11,14,18H,7-10H2,1-3H3
InChIKeyOHVKGSOGYCKFIT-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.14
Rot. Bonds2

About [1,6-dimethyl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-2-yl]methanol

[1,6-dimethyl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-2-yl]methanol (PubChem CID 91130399) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [1,6-dimethyl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-2-yl]methanol.

Molecular Properties

Compound Name[1,6-dimethyl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-2-yl]methanol
PubChem CID91130399
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[1,6-dimethyl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-2-yl]methanol
SMILESCc1ccc(N2CC(C)CN(C)C(CO)C2)cn1
InChIInChI=1S/C14H23N3O/c1-11-7-16(3)14(10-18)9-17(8-11)13-5-4-12(2)15-6-13/h4-6,11,14,18H,7-10H2,1-3H3
InChIKeyOHVKGSOGYCKFIT-UHFFFAOYSA-N
XLogP1.14
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1,6-dimethyl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1,6-dimethyl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-2-yl]methanol?
The IUPAC name of [1,6-dimethyl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-2-yl]methanol (CID 91130399) is [1,6-dimethyl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-2-yl]methanol.
What is the SMILES notation for [1,6-dimethyl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-2-yl]methanol?
The canonical SMILES for [1,6-dimethyl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-2-yl]methanol is Cc1ccc(N2CC(C)CN(C)C(CO)C2)cn1.
What is the InChIKey of [1,6-dimethyl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-2-yl]methanol?
The InChIKey is OHVKGSOGYCKFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-7-16(3)14(10-18)9-17(8-11)13-5-4-12(2)15-6-13/h4-6,11,14,18H,7-10H2,1-3H3.
What are the key properties of [1,6-dimethyl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-2-yl]methanol?
[1,6-dimethyl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-2-yl]methanol has a molecular weight of 249.36 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,6-dimethyl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-2-yl]methanol is sourced from PubChem (CID 91130399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).