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

C21H34N2O — CID 56672437

IUPACN-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine
SMILESCNC1CCC(c2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C21H34N2O/c1-22-20-10-6-18(7-11-20)19-8-12-21(13-9-19)24-17-5-16-23-14-3-2-4-15-23/h8-9,12-13,18,20,22H,2-7,10-11,14-17H2,1H3
InChIKeyOEGLZFKWQUORTQ-UHFFFAOYSA-N
MW330.52 g/mol
LogP4.19
Rot. Bonds7

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

N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine (PubChem CID 56672437) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine
PubChem CID56672437
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC NameN-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine
SMILESCNC1CCC(c2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C21H34N2O/c1-22-20-10-6-18(7-11-20)19-8-12-21(13-9-19)24-17-5-16-23-14-3-2-4-15-23/h8-9,12-13,18,20,22H,2-7,10-11,14-17H2,1H3
InChIKeyOEGLZFKWQUORTQ-UHFFFAOYSA-N
XLogP4.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 54.19
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-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine (CID 56672437) is N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine is CNC1CCC(c2ccc(OCCCN3CCCCC3)cc2)CC1.
What is the InChIKey of N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine?
The InChIKey is OEGLZFKWQUORTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-22-20-10-6-18(7-11-20)19-8-12-21(13-9-19)24-17-5-16-23-14-3-2-4-15-23/h8-9,12-13,18,20,22H,2-7,10-11,14-17H2,1H3.
What are the key properties of N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine?
N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine has a molecular weight of 330.52 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 56672437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).