1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propan-2-amine

C16H26N2 — CID 83982346

IUPAC1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propan-2-amine
SMILESCc1ccc(CN2CCCCC2CC(C)N)cc1
InChIInChI=1S/C16H26N2/c1-13-6-8-15(9-7-13)12-18-10-4-3-5-16(18)11-14(2)17/h6-9,14,16H,3-5,10-12,17H2,1-2H3
InChIKeyOKDLWLLNTQAINX-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.09
Rot. Bonds4

About 1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propan-2-amine

1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propan-2-amine (PubChem CID 83982346) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propan-2-amine
PubChem CID83982346
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propan-2-amine
SMILESCc1ccc(CN2CCCCC2CC(C)N)cc1
InChIInChI=1S/C16H26N2/c1-13-6-8-15(9-7-13)12-18-10-4-3-5-16(18)11-14(2)17/h6-9,14,16H,3-5,10-12,17H2,1-2H3
InChIKeyOKDLWLLNTQAINX-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propanoic acid
CID 83982331
1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine
CID 83982520
1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 83982354
4-(1-benzylpiperidin-2-yl)butan-2-amine
CID 83982307
1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde
CID 62655332
3-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]propan-1-amine
CID 63762657
4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]benzoic acid
CID 114337900
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 55182780
3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol
CID 83982303
1-(1-benzylpiperidin-2-yl)-N-methylpropan-2-amine
CID 83982317
[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916130

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propan-2-amine?
The IUPAC name of 1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propan-2-amine (CID 83982346) is 1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propan-2-amine is Cc1ccc(CN2CCCCC2CC(C)N)cc1.
What is the InChIKey of 1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propan-2-amine?
The InChIKey is OKDLWLLNTQAINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-6-8-15(9-7-13)12-18-10-4-3-5-16(18)11-14(2)17/h6-9,14,16H,3-5,10-12,17H2,1-2H3.
What are the key properties of 1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propan-2-amine?
1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propan-2-amine is sourced from PubChem (CID 83982346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).