1-[3-(azepan-1-yl)piperidin-1-yl]-3-phenoxypropan-2-ol

C20H32N2O2 — CID 111108788

IUPAC1-[3-(azepan-1-yl)piperidin-1-yl]-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)CN1CCCC(N2CCCCCC2)C1
InChIInChI=1S/C20H32N2O2/c23-19(17-24-20-10-4-3-5-11-20)16-21-12-8-9-18(15-21)22-13-6-1-2-7-14-22/h3-5,10-11,18-19,23H,1-2,6-9,12-17H2
InChIKeyZCYPUIZGIUUGMM-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.77
Rot. Bonds6

About 1-[3-(azepan-1-yl)piperidin-1-yl]-3-phenoxypropan-2-ol

1-[3-(azepan-1-yl)piperidin-1-yl]-3-phenoxypropan-2-ol (PubChem CID 111108788) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[3-(azepan-1-yl)piperidin-1-yl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[3-(azepan-1-yl)piperidin-1-yl]-3-phenoxypropan-2-ol
PubChem CID111108788
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-[3-(azepan-1-yl)piperidin-1-yl]-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)CN1CCCC(N2CCCCCC2)C1
InChIInChI=1S/C20H32N2O2/c23-19(17-24-20-10-4-3-5-11-20)16-21-12-8-9-18(15-21)22-13-6-1-2-7-14-22/h3-5,10-11,18-19,23H,1-2,6-9,12-17H2
InChIKeyZCYPUIZGIUUGMM-UHFFFAOYSA-N
XLogP2.77
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenoxy)-3-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
CID 110898554
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 7447463
(2R)-1-(4-cyclohexylpiperazin-1-yl)-3-[4-[(2R)-3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7155116
(2S)-1-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 124738429
(2R)-1-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 97005567
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol
CID 112734049
N-(cyclopropylmethyl)-1-(2-hydroxy-3-phenoxypropyl)piperidine-3-carboxamide
CID 110892635
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 51422999
(2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(2-nitrophenoxy)propan-2-ol
CID 97350909
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 110882103
cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone
CID 95934856
1-[3-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 3133154

Frequently Asked Questions

What is the IUPAC name of 1-[3-(azepan-1-yl)piperidin-1-yl]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[3-(azepan-1-yl)piperidin-1-yl]-3-phenoxypropan-2-ol (CID 111108788) is 1-[3-(azepan-1-yl)piperidin-1-yl]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[3-(azepan-1-yl)piperidin-1-yl]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[3-(azepan-1-yl)piperidin-1-yl]-3-phenoxypropan-2-ol is OC(COc1ccccc1)CN1CCCC(N2CCCCCC2)C1.
What is the InChIKey of 1-[3-(azepan-1-yl)piperidin-1-yl]-3-phenoxypropan-2-ol?
The InChIKey is ZCYPUIZGIUUGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c23-19(17-24-20-10-4-3-5-11-20)16-21-12-8-9-18(15-21)22-13-6-1-2-7-14-22/h3-5,10-11,18-19,23H,1-2,6-9,12-17H2.
What are the key properties of 1-[3-(azepan-1-yl)piperidin-1-yl]-3-phenoxypropan-2-ol?
1-[3-(azepan-1-yl)piperidin-1-yl]-3-phenoxypropan-2-ol has a molecular weight of 332.49 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azepan-1-yl)piperidin-1-yl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 111108788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).