N-methyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohexanamine

C26H36N2 — CID 44588178

IUPACN-methyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohexanamine
SMILESCN(Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)C1CCCCC1
InChIInChI=1S/C26H36N2/c1-27(26-8-4-2-5-9-26)20-22-10-14-24(15-11-22)25-16-12-23(13-17-25)21-28-18-6-3-7-19-28/h10-17,26H,2-9,18-21H2,1H3
InChIKeyDYZYFNKKYJDTTL-UHFFFAOYSA-N
MW376.59 g/mol
LogP6.10
Rot. Bonds6

About N-methyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohexanamine

N-methyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohexanamine (PubChem CID 44588178) has the molecular formula C26H36N2 and a molecular weight of 376.59 g/mol. Its IUPAC name is N-methyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohexanamine
PubChem CID44588178
Molecular FormulaC26H36N2
Molecular Weight376.59 g/mol
Exact Mass376.29
IUPAC NameN-methyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohexanamine
SMILESCN(Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)C1CCCCC1
InChIInChI=1S/C26H36N2/c1-27(26-8-4-2-5-9-26)20-22-10-14-24(15-11-22)25-16-12-23(13-17-25)21-28-18-6-3-7-19-28/h10-17,26H,2-9,18-21H2,1H3
InChIKeyDYZYFNKKYJDTTL-UHFFFAOYSA-N
XLogP6.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohexanamine?
The IUPAC name of N-methyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohexanamine (CID 44588178) is N-methyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohexanamine.
What is the SMILES notation for N-methyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohexanamine?
The canonical SMILES for N-methyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohexanamine is CN(Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)C1CCCCC1.
What is the InChIKey of N-methyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohexanamine?
The InChIKey is DYZYFNKKYJDTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2/c1-27(26-8-4-2-5-9-26)20-22-10-14-24(15-11-22)25-16-12-23(13-17-25)21-28-18-6-3-7-19-28/h10-17,26H,2-9,18-21H2,1H3.
What are the key properties of N-methyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohexanamine?
N-methyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohexanamine has a molecular weight of 376.59 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohexanamine is sourced from PubChem (CID 44588178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).