1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one

C16H24N2O — CID 55220018

IUPAC1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)N2CCC(CN)CC2)cc1
InChIInChI=1S/C16H24N2O/c1-13-2-4-14(5-3-13)6-7-16(19)18-10-8-15(12-17)9-11-18/h2-5,15H,6-12,17H2,1H3
InChIKeyBNHXXEHOEVPSJH-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.12
Rot. Bonds4

About 1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one

1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one (PubChem CID 55220018) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
PubChem CID55220018
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)N2CCC(CN)CC2)cc1
InChIInChI=1S/C16H24N2O/c1-13-2-4-14(5-3-13)6-7-16(19)18-10-8-15(12-17)9-11-18/h2-5,15H,6-12,17H2,1H3
InChIKeyBNHXXEHOEVPSJH-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 54878914
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
methyl 4-[3-[4-(aminomethyl)piperidin-1-yl]-3-oxopropyl]benzoate;hydrochloride
CID 167311591
1-(3-aminopyrrolidin-1-yl)-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119482522
1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 82688051
1-[4-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119559786
1-[4-(1-chloroethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 106838871
3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 61114719
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(4-bromophenyl)propan-1-one;hydrochloride
CID 119486290
ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 41455579
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 103900134
2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 110822595

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one?
The IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one (CID 55220018) is 1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one?
The canonical SMILES for 1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one is Cc1ccc(CCC(=O)N2CCC(CN)CC2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one?
The InChIKey is BNHXXEHOEVPSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-2-4-14(5-3-13)6-7-16(19)18-10-8-15(12-17)9-11-18/h2-5,15H,6-12,17H2,1H3.
What are the key properties of 1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one?
1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 55220018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).