1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine

C19H28N4 — CID 86808486

IUPAC1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1[nH]ncc1CNCc1ccc(CN2CCC(C)CC2)cc1
InChIInChI=1S/C19H28N4/c1-15-7-9-23(10-8-15)14-18-5-3-17(4-6-18)11-20-12-19-13-21-22-16(19)2/h3-6,13,15,20H,7-12,14H2,1-2H3,(H,21,22)
InChIKeyHSMGUACZNWBABN-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.24
Rot. Bonds6

About 1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine

1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 86808486) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID86808486
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1[nH]ncc1CNCc1ccc(CN2CCC(C)CC2)cc1
InChIInChI=1S/C19H28N4/c1-15-7-9-23(10-8-15)14-18-5-3-17(4-6-18)11-20-12-19-13-21-22-16(19)2/h3-6,13,15,20H,7-12,14H2,1-2H3,(H,21,22)
InChIKeyHSMGUACZNWBABN-UHFFFAOYSA-N
XLogP3.24
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (CID 86808486) is 1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is Cc1[nH]ncc1CNCc1ccc(CN2CCC(C)CC2)cc1.
What is the InChIKey of 1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is HSMGUACZNWBABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-15-7-9-23(10-8-15)14-18-5-3-17(4-6-18)11-20-12-19-13-21-22-16(19)2/h3-6,13,15,20H,7-12,14H2,1-2H3,(H,21,22).
What are the key properties of 1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 312.46 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 86808486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).