[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone

C16H24N2O — CID 63767469

IUPAC[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC(CCN)C2)cc1C
InChIInChI=1S/C16H24N2O/c1-12-5-6-15(10-13(12)2)16(19)18-9-3-4-14(11-18)7-8-17/h5-6,10,14H,3-4,7-9,11,17H2,1-2H3
InChIKeyHFGYGHNWTWXLBO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.50
Rot. Bonds3

About [3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone

[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone (PubChem CID 63767469) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
PubChem CID63767469
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC(CCN)C2)cc1C
InChIInChI=1S/C16H24N2O/c1-12-5-6-15(10-13(12)2)16(19)18-9-3-4-14(11-18)7-8-17/h5-6,10,14H,3-4,7-9,11,17H2,1-2H3
InChIKeyHFGYGHNWTWXLBO-UHFFFAOYSA-N
XLogP2.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 114802115
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 114802000
[3-(2-aminoethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 63766318
[3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 103957620
[3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 63766901
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 63765748
[3-(2-aminoethyl)piperidin-1-yl]-(4-bromophenyl)methanone;hydrochloride
CID 120727628
[3-(2-aminoethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 63765556
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701234
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 63767654
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone?
The IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone (CID 63767469) is [3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone?
The canonical SMILES for [3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone is Cc1ccc(C(=O)N2CCCC(CCN)C2)cc1C.
What is the InChIKey of [3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone?
The InChIKey is HFGYGHNWTWXLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-5-6-15(10-13(12)2)16(19)18-9-3-4-14(11-18)7-8-17/h5-6,10,14H,3-4,7-9,11,17H2,1-2H3.
What are the key properties of [3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone?
[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone has a molecular weight of 260.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 63767469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).