N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine

C17H28N2 — CID 54899736

IUPACN-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
SMILESCc1ccc(CNCC(C)N2CCCCC2)cc1C
InChIInChI=1S/C17H28N2/c1-14-7-8-17(11-15(14)2)13-18-12-16(3)19-9-5-4-6-10-19/h7-8,11,16,18H,4-6,9-10,12-13H2,1-3H3
InChIKeyWISQZIAHTIFGFF-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.27
Rot. Bonds5

About N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine

N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine (PubChem CID 54899736) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
PubChem CID54899736
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
SMILESCc1ccc(CNCC(C)N2CCCCC2)cc1C
InChIInChI=1S/C17H28N2/c1-14-7-8-17(11-15(14)2)13-18-12-16(3)19-9-5-4-6-10-19/h7-8,11,16,18H,4-6,9-10,12-13H2,1-3H3
InChIKeyWISQZIAHTIFGFF-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 105401420
N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 113222770
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899450
(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
CID 92753834
2-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 63051224
2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid
CID 103246515
N-[[3-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 79033050
N-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 107038742
(2S)-N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084994
1-[(3,4-dimethylphenyl)methylamino]propan-2-ol
CID 43220826
2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol
CID 79831124
N-[[4-(azepan-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63061231

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine (CID 54899736) is N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine is Cc1ccc(CNCC(C)N2CCCCC2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine?
The InChIKey is WISQZIAHTIFGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-7-8-17(11-15(14)2)13-18-12-16(3)19-9-5-4-6-10-19/h7-8,11,16,18H,4-6,9-10,12-13H2,1-3H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine?
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 54899736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).