(2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine

C16H26N2 — CID 116935834

IUPAC(2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine
SMILESCc1ccc(C(C)C)cc1C(N)C1CCCNC1
InChIInChI=1S/C16H26N2/c1-11(2)13-7-6-12(3)15(9-13)16(17)14-5-4-8-18-10-14/h6-7,9,11,14,16,18H,4-5,8,10,17H2,1-3H3
InChIKeyLZHNNOVEWNEXIC-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.12
Rot. Bonds3

About (2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine

(2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine (PubChem CID 116935834) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine.

Molecular Properties

Compound Name(2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine
PubChem CID116935834
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine
SMILESCc1ccc(C(C)C)cc1C(N)C1CCCNC1
InChIInChI=1S/C16H26N2/c1-11(2)13-7-6-12(3)15(9-13)16(17)14-5-4-8-18-10-14/h6-7,9,11,14,16,18H,4-5,8,10,17H2,1-3H3
InChIKeyLZHNNOVEWNEXIC-UHFFFAOYSA-N
XLogP3.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

azetidin-3-yl-(2-methyl-5-propan-2-ylphenyl)methanamine
CID 116935353
(2,4-dimethylphenyl)-piperidin-3-ylmethanamine
CID 116935781
(6-methyl-1,3-benzodioxol-5-yl)-piperidin-3-ylmethanamine
CID 116935869
(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935488
(3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935490
3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495631
(4-ethoxyphenyl)-piperidin-3-ylmethanamine
CID 116935799
(4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol
CID 79023931
cyclobutyl-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43103205
(4-methylphenyl)-piperidin-3-ylmethanol
CID 43146496
(3S)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]piperidine
CID 28750110
(3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine
CID 116935836

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine?
The IUPAC name of (2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine (CID 116935834) is (2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine.
What is the SMILES notation for (2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine?
The canonical SMILES for (2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine is Cc1ccc(C(C)C)cc1C(N)C1CCCNC1.
What is the InChIKey of (2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine?
The InChIKey is LZHNNOVEWNEXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11(2)13-7-6-12(3)15(9-13)16(17)14-5-4-8-18-10-14/h6-7,9,11,14,16,18H,4-5,8,10,17H2,1-3H3.
What are the key properties of (2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine?
(2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine is sourced from PubChem (CID 116935834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).