N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-propan-2-ylpiperidin-2-yl]methanamine

C15H28N4 — CID 97244177

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-propan-2-ylpiperidin-2-yl]methanamine
SMILESCc1c(CNC[C@H]2CCCCN2C(C)C)cnn1C
InChIInChI=1S/C15H28N4/c1-12(2)19-8-6-5-7-15(19)11-16-9-14-10-17-18(4)13(14)3/h10,12,15-16H,5-9,11H2,1-4H3/t15-/m1/s1
InChIKeyCDLSIMUYQAWZFT-OAHLLOKOSA-N
MW264.42 g/mol
LogP2.08
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-propan-2-ylpiperidin-2-yl]methanamine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-propan-2-ylpiperidin-2-yl]methanamine (PubChem CID 97244177) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-propan-2-ylpiperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-propan-2-ylpiperidin-2-yl]methanamine
PubChem CID97244177
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-propan-2-ylpiperidin-2-yl]methanamine
SMILESCc1c(CNC[C@H]2CCCCN2C(C)C)cnn1C
InChIInChI=1S/C15H28N4/c1-12(2)19-8-6-5-7-15(19)11-16-9-14-10-17-18(4)13(14)3/h10,12,15-16H,5-9,11H2,1-4H3/t15-/m1/s1
InChIKeyCDLSIMUYQAWZFT-OAHLLOKOSA-N
XLogP2.08
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-propan-2-ylpiperidin-2-yl]methanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-propan-2-ylpiperidin-2-yl]methanamine (CID 97244177) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-propan-2-ylpiperidin-2-yl]methanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-propan-2-ylpiperidin-2-yl]methanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-propan-2-ylpiperidin-2-yl]methanamine is Cc1c(CNC[C@H]2CCCCN2C(C)C)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-propan-2-ylpiperidin-2-yl]methanamine?
The InChIKey is CDLSIMUYQAWZFT-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H28N4/c1-12(2)19-8-6-5-7-15(19)11-16-9-14-10-17-18(4)13(14)3/h10,12,15-16H,5-9,11H2,1-4H3/t15-/m1/s1.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-propan-2-ylpiperidin-2-yl]methanamine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-propan-2-ylpiperidin-2-yl]methanamine has a molecular weight of 264.42 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-propan-2-ylpiperidin-2-yl]methanamine is sourced from PubChem (CID 97244177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).