[1-cyclopropyl-4-(2,5-dimethylphenyl)piperidin-4-yl]methanamine

C17H26N2 — CID 82300752

IUPAC[1-cyclopropyl-4-(2,5-dimethylphenyl)piperidin-4-yl]methanamine
SMILESCc1ccc(C)c(C2(CN)CCN(C3CC3)CC2)c1
InChIInChI=1S/C17H26N2/c1-13-3-4-14(2)16(11-13)17(12-18)7-9-19(10-8-17)15-5-6-15/h3-4,11,15H,5-10,12,18H2,1-2H3
InChIKeyINTYWRGXURHPTG-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.76
Rot. Bonds3

About [1-cyclopropyl-4-(2,5-dimethylphenyl)piperidin-4-yl]methanamine

[1-cyclopropyl-4-(2,5-dimethylphenyl)piperidin-4-yl]methanamine (PubChem CID 82300752) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is [1-cyclopropyl-4-(2,5-dimethylphenyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-cyclopropyl-4-(2,5-dimethylphenyl)piperidin-4-yl]methanamine
PubChem CID82300752
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name[1-cyclopropyl-4-(2,5-dimethylphenyl)piperidin-4-yl]methanamine
SMILESCc1ccc(C)c(C2(CN)CCN(C3CC3)CC2)c1
InChIInChI=1S/C17H26N2/c1-13-3-4-14(2)16(11-13)17(12-18)7-9-19(10-8-17)15-5-6-15/h3-4,11,15H,5-10,12,18H2,1-2H3
InChIKeyINTYWRGXURHPTG-UHFFFAOYSA-N
XLogP2.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-4-(2,5-dimethylphenyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-cyclopropyl-4-(2,5-dimethylphenyl)piperidin-4-yl]methanamine (CID 82300752) is [1-cyclopropyl-4-(2,5-dimethylphenyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-cyclopropyl-4-(2,5-dimethylphenyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-cyclopropyl-4-(2,5-dimethylphenyl)piperidin-4-yl]methanamine is Cc1ccc(C)c(C2(CN)CCN(C3CC3)CC2)c1.
What is the InChIKey of [1-cyclopropyl-4-(2,5-dimethylphenyl)piperidin-4-yl]methanamine?
The InChIKey is INTYWRGXURHPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13-3-4-14(2)16(11-13)17(12-18)7-9-19(10-8-17)15-5-6-15/h3-4,11,15H,5-10,12,18H2,1-2H3.
What are the key properties of [1-cyclopropyl-4-(2,5-dimethylphenyl)piperidin-4-yl]methanamine?
[1-cyclopropyl-4-(2,5-dimethylphenyl)piperidin-4-yl]methanamine has a molecular weight of 258.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropyl-4-(2,5-dimethylphenyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 82300752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).