N-(3-butyl-4-methylphenyl)piperidin-4-amine

C16H26N2 — CID 69343774

IUPACN-(3-butyl-4-methylphenyl)piperidin-4-amine
SMILESCCCCc1cc(NC2CCNCC2)ccc1C
InChIInChI=1S/C16H26N2/c1-3-4-5-14-12-16(7-6-13(14)2)18-15-8-10-17-11-9-15/h6-7,12,15,17-18H,3-5,8-11H2,1-2H3
InChIKeyCEXBLADPCYHGHE-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.50
Rot. Bonds5

About N-(3-butyl-4-methylphenyl)piperidin-4-amine

N-(3-butyl-4-methylphenyl)piperidin-4-amine (PubChem CID 69343774) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(3-butyl-4-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-butyl-4-methylphenyl)piperidin-4-amine
PubChem CID69343774
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(3-butyl-4-methylphenyl)piperidin-4-amine
SMILESCCCCc1cc(NC2CCNCC2)ccc1C
InChIInChI=1S/C16H26N2/c1-3-4-5-14-12-16(7-6-13(14)2)18-15-8-10-17-11-9-15/h6-7,12,15,17-18H,3-5,8-11H2,1-2H3
InChIKeyCEXBLADPCYHGHE-UHFFFAOYSA-N
XLogP3.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-butyl-4-methylphenyl)piperidin-4-amine?
The IUPAC name of N-(3-butyl-4-methylphenyl)piperidin-4-amine (CID 69343774) is N-(3-butyl-4-methylphenyl)piperidin-4-amine.
What is the SMILES notation for N-(3-butyl-4-methylphenyl)piperidin-4-amine?
The canonical SMILES for N-(3-butyl-4-methylphenyl)piperidin-4-amine is CCCCc1cc(NC2CCNCC2)ccc1C.
What is the InChIKey of N-(3-butyl-4-methylphenyl)piperidin-4-amine?
The InChIKey is CEXBLADPCYHGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-4-5-14-12-16(7-6-13(14)2)18-15-8-10-17-11-9-15/h6-7,12,15,17-18H,3-5,8-11H2,1-2H3.
What are the key properties of N-(3-butyl-4-methylphenyl)piperidin-4-amine?
N-(3-butyl-4-methylphenyl)piperidin-4-amine has a molecular weight of 246.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butyl-4-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 69343774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).