1-[(2-methylphenyl)methyl]-N-(2-methylpropyl)piperidin-3-amine

C17H28N2 — CID 83994261

IUPAC1-[(2-methylphenyl)methyl]-N-(2-methylpropyl)piperidin-3-amine
SMILESCc1ccccc1CN1CCCC(NCC(C)C)C1
InChIInChI=1S/C17H28N2/c1-14(2)11-18-17-9-6-10-19(13-17)12-16-8-5-4-7-15(16)3/h4-5,7-8,14,17-18H,6,9-13H2,1-3H3
InChIKeyOJRMMHSFJYVEEX-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.21
Rot. Bonds5

About 1-[(2-methylphenyl)methyl]-N-(2-methylpropyl)piperidin-3-amine

1-[(2-methylphenyl)methyl]-N-(2-methylpropyl)piperidin-3-amine (PubChem CID 83994261) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-N-(2-methylpropyl)piperidin-3-amine.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-N-(2-methylpropyl)piperidin-3-amine
PubChem CID83994261
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[(2-methylphenyl)methyl]-N-(2-methylpropyl)piperidin-3-amine
SMILESCc1ccccc1CN1CCCC(NCC(C)C)C1
InChIInChI=1S/C17H28N2/c1-14(2)11-18-17-9-6-10-19(13-17)12-16-8-5-4-7-15(16)3/h4-5,7-8,14,17-18H,6,9-13H2,1-3H3
InChIKeyOJRMMHSFJYVEEX-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918554
3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol
CID 65032022
1-benzyl-N-(2-methylsulfanylpropyl)piperidin-3-amine
CID 115895502
1-[(2-methylphenyl)methyl]piperidine-3-carbaldehyde
CID 62654379
N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793885
1-benzyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-3-amine
CID 63983866
2-[3-(methylamino)piperidin-1-yl]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 119920308
1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine
CID 115896173
1-[(2-methylphenyl)methyl]azetidine;hydrochloride
CID 166756979
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide
CID 23723582
N-methyl-1-(naphthalen-1-ylmethyl)piperidin-3-amine
CID 62536724
N-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103614666

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-N-(2-methylpropyl)piperidin-3-amine?
The IUPAC name of 1-[(2-methylphenyl)methyl]-N-(2-methylpropyl)piperidin-3-amine (CID 83994261) is 1-[(2-methylphenyl)methyl]-N-(2-methylpropyl)piperidin-3-amine.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-N-(2-methylpropyl)piperidin-3-amine?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-N-(2-methylpropyl)piperidin-3-amine is Cc1ccccc1CN1CCCC(NCC(C)C)C1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-N-(2-methylpropyl)piperidin-3-amine?
The InChIKey is OJRMMHSFJYVEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)11-18-17-9-6-10-19(13-17)12-16-8-5-4-7-15(16)3/h4-5,7-8,14,17-18H,6,9-13H2,1-3H3.
What are the key properties of 1-[(2-methylphenyl)methyl]-N-(2-methylpropyl)piperidin-3-amine?
1-[(2-methylphenyl)methyl]-N-(2-methylpropyl)piperidin-3-amine has a molecular weight of 260.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-N-(2-methylpropyl)piperidin-3-amine is sourced from PubChem (CID 83994261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).