N,1-dimethyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]piperidin-4-amine

C21H38N6 — CID 82565205

IUPACN,1-dimethyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]piperidin-4-amine
SMILESCN1CCC(N(C)CC2CCNCC2N2CCC(n3cccn3)CC2)CC1
InChIInChI=1S/C21H38N6/c1-24-12-5-19(6-13-24)25(2)17-18-4-10-22-16-21(18)26-14-7-20(8-15-26)27-11-3-9-23-27/h3,9,11,18-22H,4-8,10,12-17H2,1-2H3
InChIKeyURUAHZNNENSEBF-UHFFFAOYSA-N
MW374.58 g/mol
LogP1.52
Rot. Bonds5

About N,1-dimethyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]piperidin-4-amine

N,1-dimethyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]piperidin-4-amine (PubChem CID 82565205) has the molecular formula C21H38N6 and a molecular weight of 374.58 g/mol. Its IUPAC name is N,1-dimethyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]piperidin-4-amine
PubChem CID82565205
Molecular FormulaC21H38N6
Molecular Weight374.58 g/mol
Exact Mass374.32
IUPAC NameN,1-dimethyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]piperidin-4-amine
SMILESCN1CCC(N(C)CC2CCNCC2N2CCC(n3cccn3)CC2)CC1
InChIInChI=1S/C21H38N6/c1-24-12-5-19(6-13-24)25(2)17-18-4-10-22-16-21(18)26-14-7-20(8-15-26)27-11-3-9-23-27/h3,9,11,18-22H,4-8,10,12-17H2,1-2H3
InChIKeyURUAHZNNENSEBF-UHFFFAOYSA-N
XLogP1.52
TPSA39.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.58
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]piperidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]piperidin-4-amine (CID 82565205) is N,1-dimethyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]piperidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]piperidin-4-amine is CN1CCC(N(C)CC2CCNCC2N2CCC(n3cccn3)CC2)CC1.
What is the InChIKey of N,1-dimethyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]piperidin-4-amine?
The InChIKey is URUAHZNNENSEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N6/c1-24-12-5-19(6-13-24)25(2)17-18-4-10-22-16-21(18)26-14-7-20(8-15-26)27-11-3-9-23-27/h3,9,11,18-22H,4-8,10,12-17H2,1-2H3.
What are the key properties of N,1-dimethyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]piperidin-4-amine?
N,1-dimethyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]piperidin-4-amine has a molecular weight of 374.58 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 82565205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).