2-methyl-2-[1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]piperidin-4-yl]propan-1-amine

C19H29N5 — CID 154785628

IUPAC2-methyl-2-[1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]piperidin-4-yl]propan-1-amine
SMILESCn1cc(CN2CCC(C(C)(C)CN)CC2)c(-c2cccnc2)n1
InChIInChI=1S/C19H29N5/c1-19(2,14-20)17-6-9-24(10-7-17)13-16-12-23(3)22-18(16)15-5-4-8-21-11-15/h4-5,8,11-12,17H,6-7,9-10,13-14,20H2,1-3H3
InChIKeyQEILRYRLDSGHRU-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.68
Rot. Bonds5

About 2-methyl-2-[1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]piperidin-4-yl]propan-1-amine

2-methyl-2-[1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]piperidin-4-yl]propan-1-amine (PubChem CID 154785628) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 2-methyl-2-[1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]piperidin-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]piperidin-4-yl]propan-1-amine
PubChem CID154785628
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name2-methyl-2-[1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]piperidin-4-yl]propan-1-amine
SMILESCn1cc(CN2CCC(C(C)(C)CN)CC2)c(-c2cccnc2)n1
InChIInChI=1S/C19H29N5/c1-19(2,14-20)17-6-9-24(10-7-17)13-16-12-23(3)22-18(16)15-5-4-8-21-11-15/h4-5,8,11-12,17H,6-7,9-10,13-14,20H2,1-3H3
InChIKeyQEILRYRLDSGHRU-UHFFFAOYSA-N
XLogP2.68
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]piperidin-4-yl]propan-1-amine?
The IUPAC name of 2-methyl-2-[1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]piperidin-4-yl]propan-1-amine (CID 154785628) is 2-methyl-2-[1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]piperidin-4-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]piperidin-4-yl]propan-1-amine?
The canonical SMILES for 2-methyl-2-[1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]piperidin-4-yl]propan-1-amine is Cn1cc(CN2CCC(C(C)(C)CN)CC2)c(-c2cccnc2)n1.
What is the InChIKey of 2-methyl-2-[1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]piperidin-4-yl]propan-1-amine?
The InChIKey is QEILRYRLDSGHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-19(2,14-20)17-6-9-24(10-7-17)13-16-12-23(3)22-18(16)15-5-4-8-21-11-15/h4-5,8,11-12,17H,6-7,9-10,13-14,20H2,1-3H3.
What are the key properties of 2-methyl-2-[1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]piperidin-4-yl]propan-1-amine?
2-methyl-2-[1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]piperidin-4-yl]propan-1-amine has a molecular weight of 327.48 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]piperidin-4-yl]propan-1-amine is sourced from PubChem (CID 154785628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).