N-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine

C24H40N2O — CID 56658589

IUPACN-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine
SMILESCCCCNC1CCC(c2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C24H40N2O/c1-2-3-16-25-23-12-8-21(9-13-23)22-10-14-24(15-11-22)27-20-7-19-26-17-5-4-6-18-26/h10-11,14-15,21,23,25H,2-9,12-13,16-20H2,1H3
InChIKeyYSFJQETUBNXLQX-UHFFFAOYSA-N
MW372.60 g/mol
LogP5.36
Rot. Bonds10

About N-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine

N-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine (PubChem CID 56658589) has the molecular formula C24H40N2O and a molecular weight of 372.60 g/mol. Its IUPAC name is N-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine
PubChem CID56658589
Molecular FormulaC24H40N2O
Molecular Weight372.60 g/mol
Exact Mass372.31
IUPAC NameN-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine
SMILESCCCCNC1CCC(c2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C24H40N2O/c1-2-3-16-25-23-12-8-21(9-13-23)22-10-14-24(15-11-22)27-20-7-19-26-17-5-4-6-18-26/h10-11,14-15,21,23,25H,2-9,12-13,16-20H2,1H3
InChIKeyYSFJQETUBNXLQX-UHFFFAOYSA-N
XLogP5.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.60
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine?
The IUPAC name of N-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine (CID 56658589) is N-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine.
What is the SMILES notation for N-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine?
The canonical SMILES for N-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine is CCCCNC1CCC(c2ccc(OCCCN3CCCCC3)cc2)CC1.
What is the InChIKey of N-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine?
The InChIKey is YSFJQETUBNXLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O/c1-2-3-16-25-23-12-8-21(9-13-23)22-10-14-24(15-11-22)27-20-7-19-26-17-5-4-6-18-26/h10-11,14-15,21,23,25H,2-9,12-13,16-20H2,1H3.
What are the key properties of N-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine?
N-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine has a molecular weight of 372.60 g/mol, XLogP of 5.36, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 56658589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).