3-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]butan-1-one

C15H22N2O2 — CID 119700717

IUPAC3-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]butan-1-one
SMILESCC(N)CC(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-11(16)10-15(19)17-8-6-13(7-9-17)12-2-4-14(18)5-3-12/h2-5,11,13,18H,6-10,16H2,1H3
InChIKeyBEWOGMRDKJDUPD-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.84
Rot. Bonds3

About 3-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]butan-1-one

3-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]butan-1-one (PubChem CID 119700717) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]butan-1-one
PubChem CID119700717
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]butan-1-one
SMILESCC(N)CC(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-11(16)10-15(19)17-8-6-13(7-9-17)12-2-4-14(18)5-3-12/h2-5,11,13,18H,6-10,16H2,1H3
InChIKeyBEWOGMRDKJDUPD-UHFFFAOYSA-N
XLogP1.84
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 120874023
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 115593371
2-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-methylbutan-1-one
CID 110481433
N-[2-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 60712509
1-[4-(4-bromophenyl)piperidin-1-yl]-3-methylbutan-1-one
CID 71170432
3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119775893
3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119760305
3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119699766
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 60719075
4-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 103155063
3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 119767330
(1-butan-2-yl-5-methylpyrazol-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 146131215

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]butan-1-one (CID 119700717) is 3-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]butan-1-one is CC(N)CC(=O)N1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of 3-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]butan-1-one?
The InChIKey is BEWOGMRDKJDUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(16)10-15(19)17-8-6-13(7-9-17)12-2-4-14(18)5-3-12/h2-5,11,13,18H,6-10,16H2,1H3.
What are the key properties of 3-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]butan-1-one?
3-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]butan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 119700717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).