N-methyl-1-[1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine

C17H28N2 — CID 61205988

IUPACN-methyl-1-[1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine
SMILESCCC(c1ccc(C)cc1)N1CCCC(CNC)C1
InChIInChI=1S/C17H28N2/c1-4-17(16-9-7-14(2)8-10-16)19-11-5-6-15(13-19)12-18-3/h7-10,15,17-18H,4-6,11-13H2,1-3H3
InChIKeyDROIUIPEOFXPDL-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.38
Rot. Bonds5

About N-methyl-1-[1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine

N-methyl-1-[1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine (PubChem CID 61205988) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-methyl-1-[1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine
PubChem CID61205988
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-methyl-1-[1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine
SMILESCCC(c1ccc(C)cc1)N1CCCC(CNC)C1
InChIInChI=1S/C17H28N2/c1-4-17(16-9-7-14(2)8-10-16)19-11-5-6-15(13-19)12-18-3/h7-10,15,17-18H,4-6,11-13H2,1-3H3
InChIKeyDROIUIPEOFXPDL-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-methylphenyl)propyl]piperidin-3-amine
CID 61297923
N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine
CID 61206343
N-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine
CID 61204878
N-methyl-1-[1-(1-phenylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914413
N-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine
CID 80550733
1-[1-[1-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922604
N-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine
CID 61206350
N-methyl-1-[1-[1-(4-nitrophenyl)ethyl]piperidin-3-yl]methanamine
CID 61205255
2-[1-[1-(4-methylphenyl)propyl]azetidin-3-yl]acetic acid
CID 65069237
N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine
CID 61204886
[4-methyl-1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine
CID 114960002
1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine
CID 55216289

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine (CID 61205988) is N-methyl-1-[1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine is CCC(c1ccc(C)cc1)N1CCCC(CNC)C1.
What is the InChIKey of N-methyl-1-[1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine?
The InChIKey is DROIUIPEOFXPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-17(16-9-7-14(2)8-10-16)19-11-5-6-15(13-19)12-18-3/h7-10,15,17-18H,4-6,11-13H2,1-3H3.
What are the key properties of N-methyl-1-[1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine?
N-methyl-1-[1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine has a molecular weight of 260.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 61205988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).