N-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine

C13H24N4 — CID 103572294

IUPACN-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine
SMILESCCCn1cc(CN(C)C2CCCNC2)cn1
InChIInChI=1S/C13H24N4/c1-3-7-17-11-12(8-15-17)10-16(2)13-5-4-6-14-9-13/h8,11,13-14H,3-7,9-10H2,1-2H3
InChIKeyDQQJOFVJXYQQGY-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.48
Rot. Bonds5

About N-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine

N-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine (PubChem CID 103572294) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine
PubChem CID103572294
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine
SMILESCCCn1cc(CN(C)C2CCCNC2)cn1
InChIInChI=1S/C13H24N4/c1-3-7-17-11-12(8-15-17)10-16(2)13-5-4-6-14-9-13/h8,11,13-14H,3-7,9-10H2,1-2H3
InChIKeyDQQJOFVJXYQQGY-UHFFFAOYSA-N
XLogP1.48
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine
CID 63636731
(3S)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpiperidin-3-amine
CID 71641689
N-methyl-N-[(6-methyl-3-pyridinyl)methyl]piperidin-3-amine
CID 104822677
1-propyl-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 103573721
3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride
CID 164576503
4-[[(3R)-piperidin-3-yl]methyl]-N-[(1-propylpyrazol-4-yl)methyl]benzamide
CID 95726413
4-(1-propylpyrazol-4-yl)azepane
CID 83261378
3-[[methyl(piperidin-3-yl)amino]methyl]phenol
CID 63644225
N-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine
CID 63644109
N-methyl-N-(thiadiazol-5-ylmethyl)piperidin-3-amine
CID 130600083
N-propyl-N-[(2-propylpyrazol-3-yl)methyl]piperidin-3-amine
CID 114556340
(3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 71641627

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of N-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine (CID 103572294) is N-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine is CCCn1cc(CN(C)C2CCCNC2)cn1.
What is the InChIKey of N-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is DQQJOFVJXYQQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-7-17-11-12(8-15-17)10-16(2)13-5-4-6-14-9-13/h8,11,13-14H,3-7,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine?
N-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 103572294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).