[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride

C18H25ClN4O — CID 119518631

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCC(C(C)N)CC2)nn1-c1ccccc1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-13-12-17(20-22(13)16-6-4-3-5-7-16)18(23)21-10-8-15(9-11-21)14(2)19;/h3-7,12,14-15H,8-11,19H2,1-2H3;1H
InChIKeyXQQCEOULZHNARC-UHFFFAOYSA-N
MW348.88 g/mol
LogP2.80
Rot. Bonds3

About [4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride

[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride (PubChem CID 119518631) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride
PubChem CID119518631
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCC(C(C)N)CC2)nn1-c1ccccc1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-13-12-17(20-22(13)16-6-4-3-5-7-16)18(23)21-10-8-15(9-11-21)14(2)19;/h3-7,12,14-15H,8-11,19H2,1-2H3;1H
InChIKeyXQQCEOULZHNARC-UHFFFAOYSA-N
XLogP2.80
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride (CID 119518631) is [4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride is Cc1cc(C(=O)N2CCC(C(C)N)CC2)nn1-c1ccccc1.Cl.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride?
The InChIKey is XQQCEOULZHNARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c1-13-12-17(20-22(13)16-6-4-3-5-7-16)18(23)21-10-8-15(9-11-21)14(2)19;/h3-7,12,14-15H,8-11,19H2,1-2H3;1H.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride?
[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119518631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).