N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine

C15H26N4 — CID 83090529

IUPACN-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCc1nn(C)cc1CN1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H26N4/c1-12-14(10-18(2)17-12)11-19-7-5-15(6-8-19)16-9-13-3-4-13/h10,13,15-16H,3-9,11H2,1-2H3
InChIKeyYYMBXFXSXJJICS-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.69
Rot. Bonds5

About N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine

N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine (PubChem CID 83090529) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
PubChem CID83090529
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCc1nn(C)cc1CN1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H26N4/c1-12-14(10-18(2)17-12)11-19-7-5-15(6-8-19)16-9-13-3-4-13/h10,13,15-16H,3-9,11H2,1-2H3
InChIKeyYYMBXFXSXJJICS-UHFFFAOYSA-N
XLogP1.69
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide
CID 92633802
4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole
CID 130652971
N-(cyclopropylmethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82870184
N-(cyclopropylmethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-amine
CID 115307348
1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 131703772
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 83088539
4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
CID 126855039
3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 83090694
N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 83089791
N-(cyclopropylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-amine
CID 104869676
N-(cyclopropylmethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-amine;dihydrochloride
CID 119926784
N-(cyclopropylmethyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-amine
CID 81494883

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine (CID 83090529) is N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine is Cc1nn(C)cc1CN1CCC(NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is YYMBXFXSXJJICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12-14(10-18(2)17-12)11-19-7-5-15(6-8-19)16-9-13-3-4-13/h10,13,15-16H,3-9,11H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine?
N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 83090529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).