N-methyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]cyclohexanamine

C21H37N5 — CID 82565202

IUPACN-methyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]cyclohexanamine
SMILESCN(CC1CCNCC1N1CCC(n2cccn2)CC1)C1CCCCC1
InChIInChI=1S/C21H37N5/c1-24(19-6-3-2-4-7-19)17-18-8-12-22-16-21(18)25-14-9-20(10-15-25)26-13-5-11-23-26/h5,11,13,18-22H,2-4,6-10,12,14-17H2,1H3
InChIKeyGBULQPAHIBFJPT-UHFFFAOYSA-N
MW359.56 g/mol
LogP2.76
Rot. Bonds5

About N-methyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]cyclohexanamine

N-methyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]cyclohexanamine (PubChem CID 82565202) has the molecular formula C21H37N5 and a molecular weight of 359.56 g/mol. Its IUPAC name is N-methyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]cyclohexanamine
PubChem CID82565202
Molecular FormulaC21H37N5
Molecular Weight359.56 g/mol
Exact Mass359.30
IUPAC NameN-methyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]cyclohexanamine
SMILESCN(CC1CCNCC1N1CCC(n2cccn2)CC1)C1CCCCC1
InChIInChI=1S/C21H37N5/c1-24(19-6-3-2-4-7-19)17-18-8-12-22-16-21(18)25-14-9-20(10-15-25)26-13-5-11-23-26/h5,11,13,18-22H,2-4,6-10,12,14-17H2,1H3
InChIKeyGBULQPAHIBFJPT-UHFFFAOYSA-N
XLogP2.76
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]cyclohexanamine?
The IUPAC name of N-methyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]cyclohexanamine (CID 82565202) is N-methyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-methyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]cyclohexanamine?
The canonical SMILES for N-methyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]cyclohexanamine is CN(CC1CCNCC1N1CCC(n2cccn2)CC1)C1CCCCC1.
What is the InChIKey of N-methyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]cyclohexanamine?
The InChIKey is GBULQPAHIBFJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5/c1-24(19-6-3-2-4-7-19)17-18-8-12-22-16-21(18)25-14-9-20(10-15-25)26-13-5-11-23-26/h5,11,13,18-22H,2-4,6-10,12,14-17H2,1H3.
What are the key properties of N-methyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]cyclohexanamine?
N-methyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]cyclohexanamine has a molecular weight of 359.56 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]cyclohexanamine is sourced from PubChem (CID 82565202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).