1-benzyl-4-[4-(cyclohexylmethyl)-1-methylpiperidin-4-yl]piperazine

C24H39N3 — CID 59639412

IUPAC1-benzyl-4-[4-(cyclohexylmethyl)-1-methylpiperidin-4-yl]piperazine
SMILESCN1CCC(CC2CCCCC2)(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H39N3/c1-25-14-12-24(13-15-25,20-22-8-4-2-5-9-22)27-18-16-26(17-19-27)21-23-10-6-3-7-11-23/h3,6-7,10-11,22H,2,4-5,8-9,12-21H2,1H3
InChIKeyKNXAWPPBGJOPHX-UHFFFAOYSA-N
MW369.60 g/mol
LogP4.24
Rot. Bonds5

About 1-benzyl-4-[4-(cyclohexylmethyl)-1-methylpiperidin-4-yl]piperazine

1-benzyl-4-[4-(cyclohexylmethyl)-1-methylpiperidin-4-yl]piperazine (PubChem CID 59639412) has the molecular formula C24H39N3 and a molecular weight of 369.60 g/mol. Its IUPAC name is 1-benzyl-4-[4-(cyclohexylmethyl)-1-methylpiperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[4-(cyclohexylmethyl)-1-methylpiperidin-4-yl]piperazine
PubChem CID59639412
Molecular FormulaC24H39N3
Molecular Weight369.60 g/mol
Exact Mass369.31
IUPAC Name1-benzyl-4-[4-(cyclohexylmethyl)-1-methylpiperidin-4-yl]piperazine
SMILESCN1CCC(CC2CCCCC2)(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H39N3/c1-25-14-12-24(13-15-25,20-22-8-4-2-5-9-22)27-18-16-26(17-19-27)21-23-10-6-3-7-11-23/h3,6-7,10-11,22H,2,4-5,8-9,12-21H2,1H3
InChIKeyKNXAWPPBGJOPHX-UHFFFAOYSA-N
XLogP4.24
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.60
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[4-(cyclohexylmethyl)-1-methylpiperidin-4-yl]piperazine?
The IUPAC name of 1-benzyl-4-[4-(cyclohexylmethyl)-1-methylpiperidin-4-yl]piperazine (CID 59639412) is 1-benzyl-4-[4-(cyclohexylmethyl)-1-methylpiperidin-4-yl]piperazine.
What is the SMILES notation for 1-benzyl-4-[4-(cyclohexylmethyl)-1-methylpiperidin-4-yl]piperazine?
The canonical SMILES for 1-benzyl-4-[4-(cyclohexylmethyl)-1-methylpiperidin-4-yl]piperazine is CN1CCC(CC2CCCCC2)(N2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-benzyl-4-[4-(cyclohexylmethyl)-1-methylpiperidin-4-yl]piperazine?
The InChIKey is KNXAWPPBGJOPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3/c1-25-14-12-24(13-15-25,20-22-8-4-2-5-9-22)27-18-16-26(17-19-27)21-23-10-6-3-7-11-23/h3,6-7,10-11,22H,2,4-5,8-9,12-21H2,1H3.
What are the key properties of 1-benzyl-4-[4-(cyclohexylmethyl)-1-methylpiperidin-4-yl]piperazine?
1-benzyl-4-[4-(cyclohexylmethyl)-1-methylpiperidin-4-yl]piperazine has a molecular weight of 369.60 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[4-(cyclohexylmethyl)-1-methylpiperidin-4-yl]piperazine is sourced from PubChem (CID 59639412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).