[3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

C15H22N2O2 — CID 102978293

IUPAC[3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)c2cccc(CN)c2)CC1
InChIInChI=1S/C15H22N2O2/c1-11(18)13-5-7-17(8-6-13)15(19)14-4-2-3-12(9-14)10-16/h2-4,9,11,13,18H,5-8,10,16H2,1H3
InChIKeyDHLCKQHWJABKSJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.38
Rot. Bonds3

About [3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

[3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 102978293) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID102978293
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)c2cccc(CN)c2)CC1
InChIInChI=1S/C15H22N2O2/c1-11(18)13-5-7-17(8-6-13)15(19)14-4-2-3-12(9-14)10-16/h2-4,9,11,13,18H,5-8,10,16H2,1H3
InChIKeyDHLCKQHWJABKSJ-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(chloromethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835706
[3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43584943
[3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63622383
N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 106836739
[3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 61439888
1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106835397
N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide
CID 102735859
[3-(aminomethyl)phenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63157358
[3-(aminomethyl)phenyl]-(3-ethylpiperidin-1-yl)methanone
CID 43584058
[3-(aminomethyl)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 28744968
(2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837602
3-(4-propan-2-ylpiperidine-1-carbonyl)benzoic acid
CID 103925973

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (CID 102978293) is [3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is CC(O)C1CCN(C(=O)c2cccc(CN)c2)CC1.
What is the InChIKey of [3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is DHLCKQHWJABKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(18)13-5-7-17(8-6-13)15(19)14-4-2-3-12(9-14)10-16/h2-4,9,11,13,18H,5-8,10,16H2,1H3.
What are the key properties of [3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
[3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 262.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 102978293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).