N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-propan-2-ylpiperidin-4-amine;hydrochloride

C19H29ClN4O — CID 56796528

IUPACN-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-propan-2-ylpiperidin-4-amine;hydrochloride
SMILESCOc1cccc(-c2[nH]ncc2CNC2CCN(C(C)C)CC2)c1.Cl
InChIInChI=1S/C19H28N4O.ClH/c1-14(2)23-9-7-17(8-10-23)20-12-16-13-21-22-19(16)15-5-4-6-18(11-15)24-3;/h4-6,11,13-14,17,20H,7-10,12H2,1-3H3,(H,21,22);1H
InChIKeyCYTJMDCJVHPPFN-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.47
Rot. Bonds6

About N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-propan-2-ylpiperidin-4-amine;hydrochloride

N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-propan-2-ylpiperidin-4-amine;hydrochloride (PubChem CID 56796528) has the molecular formula C19H29ClN4O and a molecular weight of 364.92 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-propan-2-ylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-propan-2-ylpiperidin-4-amine;hydrochloride
PubChem CID56796528
Molecular FormulaC19H29ClN4O
Molecular Weight364.92 g/mol
Exact Mass364.20
IUPAC NameN-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-propan-2-ylpiperidin-4-amine;hydrochloride
SMILESCOc1cccc(-c2[nH]ncc2CNC2CCN(C(C)C)CC2)c1.Cl
InChIInChI=1S/C19H28N4O.ClH/c1-14(2)23-9-7-17(8-10-23)20-12-16-13-21-22-19(16)15-5-4-6-18(11-15)24-3;/h4-6,11,13-14,17,20H,7-10,12H2,1-3H3,(H,21,22);1H
InChIKeyCYTJMDCJVHPPFN-UHFFFAOYSA-N
XLogP3.47
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-propan-2-ylpiperidin-4-amine;hydrochloride?
The IUPAC name of N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-propan-2-ylpiperidin-4-amine;hydrochloride (CID 56796528) is N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-propan-2-ylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-propan-2-ylpiperidin-4-amine;hydrochloride?
The canonical SMILES for N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-propan-2-ylpiperidin-4-amine;hydrochloride is COc1cccc(-c2[nH]ncc2CNC2CCN(C(C)C)CC2)c1.Cl.
What is the InChIKey of N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-propan-2-ylpiperidin-4-amine;hydrochloride?
The InChIKey is CYTJMDCJVHPPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O.ClH/c1-14(2)23-9-7-17(8-10-23)20-12-16-13-21-22-19(16)15-5-4-6-18(11-15)24-3;/h4-6,11,13-14,17,20H,7-10,12H2,1-3H3,(H,21,22);1H.
What are the key properties of N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-propan-2-ylpiperidin-4-amine;hydrochloride?
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-propan-2-ylpiperidin-4-amine;hydrochloride has a molecular weight of 364.92 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-propan-2-ylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 56796528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).