1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol

C17H27NO2 — CID 62045632

IUPAC1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol
SMILESCC1CCCN(CC(O)COCc2ccccc2)CC1
InChIInChI=1S/C17H27NO2/c1-15-6-5-10-18(11-9-15)12-17(19)14-20-13-16-7-3-2-4-8-16/h2-4,7-8,15,17,19H,5-6,9-14H2,1H3
InChIKeyVSRRBMKJIAJOSS-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.69
Rot. Bonds6

About 1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol

1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol (PubChem CID 62045632) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol
PubChem CID62045632
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol
SMILESCC1CCCN(CC(O)COCc2ccccc2)CC1
InChIInChI=1S/C17H27NO2/c1-15-6-5-10-18(11-9-15)12-17(19)14-20-13-16-7-3-2-4-8-16/h2-4,7-8,15,17,19H,5-6,9-14H2,1H3
InChIKeyVSRRBMKJIAJOSS-UHFFFAOYSA-N
XLogP2.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
(2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 780314
1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 60768507
1-(4-cyclohexyloxypiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 110910900
1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 2770344
1-[4-(2-hydroxy-3-phenylmethoxypropyl)-1,4-diazepan-1-yl]ethanone
CID 17471466

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol (CID 62045632) is 1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol is CC1CCCN(CC(O)COCc2ccccc2)CC1.
What is the InChIKey of 1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol?
The InChIKey is VSRRBMKJIAJOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-15-6-5-10-18(11-9-15)12-17(19)14-20-13-16-7-3-2-4-8-16/h2-4,7-8,15,17,19H,5-6,9-14H2,1H3.
What are the key properties of 1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol?
1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 62045632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).