1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-phenylmethoxyethanone

C19H28N2O3 — CID 56895278

IUPAC1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C19H28N2O3/c22-18-8-12-20(13-9-18)17-6-10-21(11-7-17)19(23)15-24-14-16-4-2-1-3-5-16/h1-5,17-18,22H,6-15H2
InChIKeyUXNQYDQGUVSYDZ-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.65
Rot. Bonds5

About 1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-phenylmethoxyethanone

1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-phenylmethoxyethanone (PubChem CID 56895278) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-phenylmethoxyethanone
PubChem CID56895278
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C19H28N2O3/c22-18-8-12-20(13-9-18)17-6-10-21(11-7-17)19(23)15-24-14-16-4-2-1-3-5-16/h1-5,17-18,22H,6-15H2
InChIKeyUXNQYDQGUVSYDZ-UHFFFAOYSA-N
XLogP1.65
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone
CID 43416001
1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one
CID 56909574
N-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693509
1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone
CID 82016141
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42881854
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 119646015
2-[(3-methoxyphenyl)methoxy]-1-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 97064034
3-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
CID 156591251
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846
1-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-2-(2-phenylmethoxyphenyl)ethanone
CID 157011084
benzyl 4-[3-(4-hydroxypiperidin-1-yl)cyclobutyl]oxypiperidine-1-carboxylate
CID 166077458

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-phenylmethoxyethanone (CID 56895278) is 1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-phenylmethoxyethanone is O=C(COCc1ccccc1)N1CCC(N2CCC(O)CC2)CC1.
What is the InChIKey of 1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is UXNQYDQGUVSYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-18-8-12-20(13-9-18)17-6-10-21(11-7-17)19(23)15-24-14-16-4-2-1-3-5-16/h1-5,17-18,22H,6-15H2.
What are the key properties of 1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-phenylmethoxyethanone?
1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 332.44 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 56895278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).