[2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]methanamine

C16H26N2 — CID 117019700

IUPAC[2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]methanamine
SMILESCc1ccc(CN2CCCC(CN)C2(C)C)cc1
InChIInChI=1S/C16H26N2/c1-13-6-8-14(9-7-13)12-18-10-4-5-15(11-17)16(18,2)3/h6-9,15H,4-5,10-12,17H2,1-3H3
InChIKeyVXKAZRRTPPRDNG-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.94
Rot. Bonds3

About [2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]methanamine

[2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]methanamine (PubChem CID 117019700) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]methanamine
PubChem CID117019700
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name[2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]methanamine
SMILESCc1ccc(CN2CCCC(CN)C2(C)C)cc1
InChIInChI=1S/C16H26N2/c1-13-6-8-14(9-7-13)12-18-10-4-5-15(11-17)16(18,2)3/h6-9,15H,4-5,10-12,17H2,1-3H3
InChIKeyVXKAZRRTPPRDNG-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,2-dimethyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanamine
CID 117019703
[1-(furan-2-ylmethyl)-2,2-dimethylpiperidin-3-yl]methanamine
CID 117019699
CID 86042658
CID 86042658
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine
CID 63596118
3-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]propan-1-amine
CID 63762657
[2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol
CID 117020676
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
[1-(2-methoxyphenyl)-2,2-dimethylpiperidin-3-yl]methanamine
CID 117019738
lithium (2R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-2-carboxylate
CID 159928526
[2-[(4-methylphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine
CID 133176039
1-methyl-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonane
CID 70471011

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]methanamine?
The IUPAC name of [2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]methanamine (CID 117019700) is [2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]methanamine?
The canonical SMILES for [2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]methanamine is Cc1ccc(CN2CCCC(CN)C2(C)C)cc1.
What is the InChIKey of [2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]methanamine?
The InChIKey is VXKAZRRTPPRDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-6-8-14(9-7-13)12-18-10-4-5-15(11-17)16(18,2)3/h6-9,15H,4-5,10-12,17H2,1-3H3.
What are the key properties of [2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]methanamine?
[2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 117019700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).