N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine

C15H24N2 — CID 84795677

IUPACN,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
SMILESCN(C)Cc1ccccc1CC1CCCNC1
InChIInChI=1S/C15H24N2/c1-17(2)12-15-8-4-3-7-14(15)10-13-6-5-9-16-11-13/h3-4,7-8,13,16H,5-6,9-12H2,1-2H3
InChIKeyYBVREFUHWJDSMD-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.29
Rot. Bonds4

About N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine

N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine (PubChem CID 84795677) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
PubChem CID84795677
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
SMILESCN(C)Cc1ccccc1CC1CCCNC1
InChIInChI=1S/C15H24N2/c1-17(2)12-15-8-4-3-7-14(15)10-13-6-5-9-16-11-13/h3-4,7-8,13,16H,5-6,9-12H2,1-2H3
InChIKeyYBVREFUHWJDSMD-UHFFFAOYSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine
CID 117411138
3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine
CID 66809492
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
2-fluoro-N,N-dimethyl-6-(piperidin-3-ylmethyl)aniline
CID 117118019
3-[(2,3-dichlorophenyl)methyl]piperidine
CID 91178565
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
1-[2-bromo-4-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine
CID 117496154
2-(piperidin-3-ylmethyl)benzoic acid
CID 84786861
3-[[2-(1-methylazetidin-3-yl)phenyl]methyl]piperidine
CID 117363445
3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)piperidine
CID 117371533
N,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline
CID 117336984
2-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 154457528

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine (CID 84795677) is N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine is CN(C)Cc1ccccc1CC1CCCNC1.
What is the InChIKey of N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine?
The InChIKey is YBVREFUHWJDSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-17(2)12-15-8-4-3-7-14(15)10-13-6-5-9-16-11-13/h3-4,7-8,13,16H,5-6,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine?
N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine has a molecular weight of 232.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 84795677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).