[1-cyclopropyl-4-(3-methylphenyl)piperidin-4-yl]methanamine

C16H24N2 — CID 82294475

IUPAC[1-cyclopropyl-4-(3-methylphenyl)piperidin-4-yl]methanamine
SMILESCc1cccc(C2(CN)CCN(C3CC3)CC2)c1
InChIInChI=1S/C16H24N2/c1-13-3-2-4-14(11-13)16(12-17)7-9-18(10-8-16)15-5-6-15/h2-4,11,15H,5-10,12,17H2,1H3
InChIKeyBJHAWFYQHSSHIC-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.45
Rot. Bonds3

About [1-cyclopropyl-4-(3-methylphenyl)piperidin-4-yl]methanamine

[1-cyclopropyl-4-(3-methylphenyl)piperidin-4-yl]methanamine (PubChem CID 82294475) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is [1-cyclopropyl-4-(3-methylphenyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-cyclopropyl-4-(3-methylphenyl)piperidin-4-yl]methanamine
PubChem CID82294475
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name[1-cyclopropyl-4-(3-methylphenyl)piperidin-4-yl]methanamine
SMILESCc1cccc(C2(CN)CCN(C3CC3)CC2)c1
InChIInChI=1S/C16H24N2/c1-13-3-2-4-14(11-13)16(12-17)7-9-18(10-8-16)15-5-6-15/h2-4,11,15H,5-10,12,17H2,1H3
InChIKeyBJHAWFYQHSSHIC-UHFFFAOYSA-N
XLogP2.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-4-(3-methylphenyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-cyclopropyl-4-(3-methylphenyl)piperidin-4-yl]methanamine (CID 82294475) is [1-cyclopropyl-4-(3-methylphenyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-cyclopropyl-4-(3-methylphenyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-cyclopropyl-4-(3-methylphenyl)piperidin-4-yl]methanamine is Cc1cccc(C2(CN)CCN(C3CC3)CC2)c1.
What is the InChIKey of [1-cyclopropyl-4-(3-methylphenyl)piperidin-4-yl]methanamine?
The InChIKey is BJHAWFYQHSSHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13-3-2-4-14(11-13)16(12-17)7-9-18(10-8-16)15-5-6-15/h2-4,11,15H,5-10,12,17H2,1H3.
What are the key properties of [1-cyclopropyl-4-(3-methylphenyl)piperidin-4-yl]methanamine?
[1-cyclopropyl-4-(3-methylphenyl)piperidin-4-yl]methanamine has a molecular weight of 244.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropyl-4-(3-methylphenyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 82294475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).