[4-(2-methylphenyl)-1-(2-methylpropyl)piperidin-4-yl]methanamine

C17H28N2 — CID 82301958

IUPAC[4-(2-methylphenyl)-1-(2-methylpropyl)piperidin-4-yl]methanamine
SMILESCc1ccccc1C1(CN)CCN(CC(C)C)CC1
InChIInChI=1S/C17H28N2/c1-14(2)12-19-10-8-17(13-18,9-11-19)16-7-5-4-6-15(16)3/h4-7,14H,8-13,18H2,1-3H3
InChIKeyGCZXMUBAFBHVBR-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.94
Rot. Bonds4

About [4-(2-methylphenyl)-1-(2-methylpropyl)piperidin-4-yl]methanamine

[4-(2-methylphenyl)-1-(2-methylpropyl)piperidin-4-yl]methanamine (PubChem CID 82301958) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is [4-(2-methylphenyl)-1-(2-methylpropyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methylphenyl)-1-(2-methylpropyl)piperidin-4-yl]methanamine
PubChem CID82301958
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name[4-(2-methylphenyl)-1-(2-methylpropyl)piperidin-4-yl]methanamine
SMILESCc1ccccc1C1(CN)CCN(CC(C)C)CC1
InChIInChI=1S/C17H28N2/c1-14(2)12-19-10-8-17(13-18,9-11-19)16-7-5-4-6-15(16)3/h4-7,14H,8-13,18H2,1-3H3
InChIKeyGCZXMUBAFBHVBR-UHFFFAOYSA-N
XLogP2.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)-1-(2-methylpropyl)piperidin-4-yl]methanamine?
The IUPAC name of [4-(2-methylphenyl)-1-(2-methylpropyl)piperidin-4-yl]methanamine (CID 82301958) is [4-(2-methylphenyl)-1-(2-methylpropyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [4-(2-methylphenyl)-1-(2-methylpropyl)piperidin-4-yl]methanamine?
The canonical SMILES for [4-(2-methylphenyl)-1-(2-methylpropyl)piperidin-4-yl]methanamine is Cc1ccccc1C1(CN)CCN(CC(C)C)CC1.
What is the InChIKey of [4-(2-methylphenyl)-1-(2-methylpropyl)piperidin-4-yl]methanamine?
The InChIKey is GCZXMUBAFBHVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)12-19-10-8-17(13-18,9-11-19)16-7-5-4-6-15(16)3/h4-7,14H,8-13,18H2,1-3H3.
What are the key properties of [4-(2-methylphenyl)-1-(2-methylpropyl)piperidin-4-yl]methanamine?
[4-(2-methylphenyl)-1-(2-methylpropyl)piperidin-4-yl]methanamine has a molecular weight of 260.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)-1-(2-methylpropyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 82301958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).