N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine

C15H28N4 — CID 107163325

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1CNCC1(C)CCN(C)CC1
InChIInChI=1S/C15H28N4/c1-4-9-19-14(5-8-17-19)12-16-13-15(2)6-10-18(3)11-7-15/h5,8,16H,4,6-7,9-13H2,1-3H3
InChIKeyPACYQIDQMMKWTI-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.11
Rot. Bonds6

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine

N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine (PubChem CID 107163325) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine
PubChem CID107163325
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1CNCC1(C)CCN(C)CC1
InChIInChI=1S/C15H28N4/c1-4-9-19-14(5-8-17-19)12-16-13-15(2)6-10-18(3)11-7-15/h5,8,16H,4,6-7,9-13H2,1-3H3
InChIKeyPACYQIDQMMKWTI-UHFFFAOYSA-N
XLogP2.11
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166952
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
4-ethyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 114555851
1-methyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 114555624
2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 106100232
N-[(2-propylpyrazol-3-yl)methyl]piperidin-1-amine
CID 114556039
3-methyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 114555849
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 107163493
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
2-methyl-N-[(2-propylpyrazol-3-yl)methyl]prop-2-en-1-amine
CID 114615846
3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 114554889
2-cyclopropyl-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 114556145

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine (CID 107163325) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1CNCC1(C)CCN(C)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is PACYQIDQMMKWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-9-19-14(5-8-17-19)12-16-13-15(2)6-10-18(3)11-7-15/h5,8,16H,4,6-7,9-13H2,1-3H3.
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 264.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 107163325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).