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

C22H36N2O — CID 11978858

IUPACN,N-dimethyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine
SMILESCN(C)C1CCC(c2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C22H36N2O/c1-23(2)21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-18-6-17-24-15-4-3-5-16-24/h9-10,13-14,19,21H,3-8,11-12,15-18H2,1-2H3
InChIKeyNBCFVKKQKAXINS-UHFFFAOYSA-N
MW344.54 g/mol
LogP4.53
Rot. Bonds7

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

N,N-dimethyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine (PubChem CID 11978858) has the molecular formula C22H36N2O and a molecular weight of 344.54 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine
PubChem CID11978858
Molecular FormulaC22H36N2O
Molecular Weight344.54 g/mol
Exact Mass344.28
IUPAC NameN,N-dimethyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine
SMILESCN(C)C1CCC(c2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C22H36N2O/c1-23(2)21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-18-6-17-24-15-4-3-5-16-24/h9-10,13-14,19,21H,3-8,11-12,15-18H2,1-2H3
InChIKeyNBCFVKKQKAXINS-UHFFFAOYSA-N
XLogP4.53
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 54.53
H-Bond Donors ≤ 50
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,N-dimethyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine (CID 11978858) is N,N-dimethyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine is CN(C)C1CCC(c2ccc(OCCCN3CCCCC3)cc2)CC1.
What is the InChIKey of N,N-dimethyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine?
The InChIKey is NBCFVKKQKAXINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O/c1-23(2)21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-18-6-17-24-15-4-3-5-16-24/h9-10,13-14,19,21H,3-8,11-12,15-18H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine?
N,N-dimethyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine has a molecular weight of 344.54 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 11978858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).