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

C15H22N2O2 — CID 54985369

IUPAC[4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2ccc(CN)cc2)C1
InChIInChI=1S/C15H22N2O2/c1-2-19-14-4-3-9-17(11-14)15(18)13-7-5-12(10-16)6-8-13/h5-8,14H,2-4,9-11,16H2,1H3
InChIKeyFHQRGHAKSLTVJP-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.79
Rot. Bonds4

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

[4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone (PubChem CID 54985369) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
PubChem CID54985369
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2ccc(CN)cc2)C1
InChIInChI=1S/C15H22N2O2/c1-2-19-14-4-3-9-17(11-14)15(18)13-7-5-12(10-16)6-8-13/h5-8,14H,2-4,9-11,16H2,1H3
InChIKeyFHQRGHAKSLTVJP-UHFFFAOYSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(chloromethyl)phenyl]-(3-propoxypiperidin-1-yl)methanone
CID 61169758
(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 42656405
(3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 103892247
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid
CID 61157537
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283
(3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 71998730
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117
(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
4-(3-ethoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 47736704
(2-amino-3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 115540541

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone (CID 54985369) is [4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone is CCOC1CCCN(C(=O)c2ccc(CN)cc2)C1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone?
The InChIKey is FHQRGHAKSLTVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-19-14-4-3-9-17(11-14)15(18)13-7-5-12(10-16)6-8-13/h5-8,14H,2-4,9-11,16H2,1H3.
What are the key properties of [4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone?
[4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 54985369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).