2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol

C16H26N2O — CID 62619504

IUPAC2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol
SMILESCC(CN1CCCN(C)CC1)C(O)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-14(16(19)15-7-4-3-5-8-15)13-18-10-6-9-17(2)11-12-18/h3-5,7-8,14,16,19H,6,9-13H2,1-2H3
InChIKeyNLAOAMSHRNHAHY-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.99
Rot. Bonds4

About 2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol

2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol (PubChem CID 62619504) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol
PubChem CID62619504
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol
SMILESCC(CN1CCCN(C)CC1)C(O)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-14(16(19)15-7-4-3-5-8-15)13-18-10-6-9-17(2)11-12-18/h3-5,7-8,14,16,19H,6,9-13H2,1-2H3
InChIKeyNLAOAMSHRNHAHY-UHFFFAOYSA-N
XLogP1.99
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1-phenylpropan-1-ol
CID 62618309
3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol
CID 63621095
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1-phenylpropan-1-ol
CID 62617802
2-methyl-1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol
CID 102745849
(2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol
CID 7393596
N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 143114177
1-methyl-4-(2-methylpropyl)-1,4-diazepane
CID 58719890
1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol
CID 59799485
(2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine
CID 93102230
(1R,2S)-1-indol-1-yl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-ol
CID 59771315
(1S,2S)-1-indol-1-yl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-ol
CID 45486546
methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide
CID 87106535

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol?
The IUPAC name of 2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol (CID 62619504) is 2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol.
What is the SMILES notation for 2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol?
The canonical SMILES for 2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol is CC(CN1CCCN(C)CC1)C(O)c1ccccc1.
What is the InChIKey of 2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol?
The InChIKey is NLAOAMSHRNHAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14(16(19)15-7-4-3-5-8-15)13-18-10-6-9-17(2)11-12-18/h3-5,7-8,14,16,19H,6,9-13H2,1-2H3.
What are the key properties of 2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol?
2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol is sourced from PubChem (CID 62619504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).