4-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-phenylbutan-1-one

C17H26N2O2 — CID 107217065

IUPAC4-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-phenylbutan-1-one
SMILESNC(CCC(=O)N1CCCC(CCO)C1)c1ccccc1
InChIInChI=1S/C17H26N2O2/c18-16(15-6-2-1-3-7-15)8-9-17(21)19-11-4-5-14(13-19)10-12-20/h1-3,6-7,14,16,20H,4-5,8-13,18H2
InChIKeyBVUSRBUWNFDSFT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.09
Rot. Bonds6

About 4-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-phenylbutan-1-one

4-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-phenylbutan-1-one (PubChem CID 107217065) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-phenylbutan-1-one
PubChem CID107217065
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-phenylbutan-1-one
SMILESNC(CCC(=O)N1CCCC(CCO)C1)c1ccccc1
InChIInChI=1S/C17H26N2O2/c18-16(15-6-2-1-3-7-15)8-9-17(21)19-11-4-5-14(13-19)10-12-20/h1-3,6-7,14,16,20H,4-5,8-13,18H2
InChIKeyBVUSRBUWNFDSFT-UHFFFAOYSA-N
XLogP2.09
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one
CID 55204912
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-phenylsulfanylpropan-1-one
CID 62357288
4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 107217247
4-amino-1-(3-hydroxypyrrolidin-1-yl)-4-phenylbutan-1-one
CID 63323919
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-4-phenylbutan-1-one
CID 65320455
3-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107209704
2-benzylsulfanyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62356079
4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one
CID 63323897
3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide
CID 119308870
4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63978619
3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107216510
2-(2,6-dichlorophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62357455

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-phenylbutan-1-one?
The IUPAC name of 4-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-phenylbutan-1-one (CID 107217065) is 4-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 4-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-phenylbutan-1-one?
The canonical SMILES for 4-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-phenylbutan-1-one is NC(CCC(=O)N1CCCC(CCO)C1)c1ccccc1.
What is the InChIKey of 4-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-phenylbutan-1-one?
The InChIKey is BVUSRBUWNFDSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-16(15-6-2-1-3-7-15)8-9-17(21)19-11-4-5-14(13-19)10-12-20/h1-3,6-7,14,16,20H,4-5,8-13,18H2.
What are the key properties of 4-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-phenylbutan-1-one?
4-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-phenylbutan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 107217065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).