[4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine

C16H26N2 — CID 114478552

IUPAC[4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1CN1C(C)CCCC1C
InChIInChI=1S/C16H26N2/c1-12-9-15(10-17)7-8-16(12)11-18-13(2)5-4-6-14(18)3/h7-9,13-14H,4-6,10-11,17H2,1-3H3
InChIKeyKOWZIMKKRRYSDF-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.22
Rot. Bonds3

About [4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine

[4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine (PubChem CID 114478552) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine
PubChem CID114478552
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name[4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1CN1C(C)CCCC1C
InChIInChI=1S/C16H26N2/c1-12-9-15(10-17)7-8-16(12)11-18-13(2)5-4-6-14(18)3/h7-9,13-14H,4-6,10-11,17H2,1-3H3
InChIKeyKOWZIMKKRRYSDF-UHFFFAOYSA-N
XLogP3.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 114478531
[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 15121448
5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-methylaniline
CID 28599320
2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol
CID 107227286
[4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine
CID 114478616
[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-3-methylphenyl]methanamine
CID 114478734
4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]aniline
CID 1084714
3-bromo-4-[(2,6-dimethylpiperidin-1-yl)methyl]aniline
CID 54918462
[1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol
CID 114478921
[3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 102662791
[3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine
CID 114478897
[4-(aminomethyl)-2-methylphenyl]methanethiol
CID 145486508

Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine?
The IUPAC name of [4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine (CID 114478552) is [4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine.
What is the SMILES notation for [4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine?
The canonical SMILES for [4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine is Cc1cc(CN)ccc1CN1C(C)CCCC1C.
What is the InChIKey of [4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine?
The InChIKey is KOWZIMKKRRYSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-9-15(10-17)7-8-16(12)11-18-13(2)5-4-6-14(18)3/h7-9,13-14H,4-6,10-11,17H2,1-3H3.
What are the key properties of [4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine?
[4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine is sourced from PubChem (CID 114478552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).