[2-methyl-5-(piperidin-1-ylmethyl)phenyl]methanamine

C14H22N2 — CID 125454284

IUPAC[2-methyl-5-(piperidin-1-ylmethyl)phenyl]methanamine
SMILESCc1ccc(CN2CCCCC2)cc1CN
InChIInChI=1S/C14H22N2/c1-12-5-6-13(9-14(12)10-15)11-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10-11,15H2,1H3
InChIKeyZHIWAGOVYJGJCY-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.44
Rot. Bonds3

About [2-methyl-5-(piperidin-1-ylmethyl)phenyl]methanamine

[2-methyl-5-(piperidin-1-ylmethyl)phenyl]methanamine (PubChem CID 125454284) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is [2-methyl-5-(piperidin-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-methyl-5-(piperidin-1-ylmethyl)phenyl]methanamine
PubChem CID125454284
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name[2-methyl-5-(piperidin-1-ylmethyl)phenyl]methanamine
SMILESCc1ccc(CN2CCCCC2)cc1CN
InChIInChI=1S/C14H22N2/c1-12-5-6-13(9-14(12)10-15)11-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10-11,15H2,1H3
InChIKeyZHIWAGOVYJGJCY-UHFFFAOYSA-N
XLogP2.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
CID 176955142
[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 114478531
[4-(azepan-1-ylmethyl)-2-propan-2-yloxyphenyl]methanamine
CID 84754923
1-[(3,4-diethylphenyl)methyl]pyrrolidine
CID 170618261
1-[(4-methylphenyl)methyl]azepane
CID 3951815
[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]methanamine
CID 18071220
1-[(3,4,5-trimethylphenyl)methyl]piperidine
CID 91162015
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327
[2-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine
CID 16793650
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
2-methyl-5-(1,4-oxazepan-4-ylmethyl)aniline
CID 62972113

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(piperidin-1-ylmethyl)phenyl]methanamine?
The IUPAC name of [2-methyl-5-(piperidin-1-ylmethyl)phenyl]methanamine (CID 125454284) is [2-methyl-5-(piperidin-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [2-methyl-5-(piperidin-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for [2-methyl-5-(piperidin-1-ylmethyl)phenyl]methanamine is Cc1ccc(CN2CCCCC2)cc1CN.
What is the InChIKey of [2-methyl-5-(piperidin-1-ylmethyl)phenyl]methanamine?
The InChIKey is ZHIWAGOVYJGJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-5-6-13(9-14(12)10-15)11-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10-11,15H2,1H3.
What are the key properties of [2-methyl-5-(piperidin-1-ylmethyl)phenyl]methanamine?
[2-methyl-5-(piperidin-1-ylmethyl)phenyl]methanamine has a molecular weight of 218.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(piperidin-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 125454284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).