(2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol

C15H24N2O2 — CID 95067056

IUPAC(2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OC[C@H](O)CN2CCCNCC2)c1
InChIInChI=1S/C15H24N2O2/c1-13-4-2-5-15(10-13)19-12-14(18)11-17-8-3-6-16-7-9-17/h2,4-5,10,14,16,18H,3,6-9,11-12H2,1H3/t14-/m1/s1
InChIKeyXDAXKENFTDFOCV-CQSZACIVSA-N
MW264.37 g/mol
LogP1.03
Rot. Bonds5

About (2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol

(2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol (PubChem CID 95067056) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol
PubChem CID95067056
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OC[C@H](O)CN2CCCNCC2)c1
InChIInChI=1S/C15H24N2O2/c1-13-4-2-5-15(10-13)19-12-14(18)11-17-8-3-6-16-7-9-17/h2,4-5,10,14,16,18H,3,6-9,11-12H2,1H3/t14-/m1/s1
InChIKeyXDAXKENFTDFOCV-CQSZACIVSA-N
XLogP1.03
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 3095128
(2R)-1-(1,4-diazepan-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol
CID 95067042
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
1-(1,4-diazepan-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 19005868
1-[3-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 3133154
(2S)-1-(4-chlorophenoxy)-3-(1,4-diazepan-1-yl)propan-2-ol
CID 95067055
1-(3-methylphenoxy)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-2-ol
CID 134058236
1-(3-methylphenoxy)-3-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
CID 110898554
1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3386373
1-(3-methoxyphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2892284
2-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 30738897
1-(2,3-dihydro-1H-inden-5-yloxy)-3-piperazin-1-ylpropan-2-ol
CID 65449645

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol (CID 95067056) is (2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol is Cc1cccc(OC[C@H](O)CN2CCCNCC2)c1.
What is the InChIKey of (2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is XDAXKENFTDFOCV-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-13-4-2-5-15(10-13)19-12-14(18)11-17-8-3-6-16-7-9-17/h2,4-5,10,14,16,18H,3,6-9,11-12H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol?
(2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 264.37 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 95067056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).