N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine

C15H21N5 — CID 61351170

IUPACN-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine
SMILESCn1cc(CNC2CCN(c3ccncc3)CC2)cn1
InChIInChI=1S/C15H21N5/c1-19-12-13(11-18-19)10-17-14-4-8-20(9-5-14)15-2-6-16-7-3-15/h2-3,6-7,11-12,14,17H,4-5,8-10H2,1H3
InChIKeyNDFCCERHONKPHA-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.57
Rot. Bonds4

About N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine

N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine (PubChem CID 61351170) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine
PubChem CID61351170
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine
SMILESCn1cc(CNC2CCN(c3ccncc3)CC2)cn1
InChIInChI=1S/C15H21N5/c1-19-12-13(11-18-19)10-17-14-4-8-20(9-5-14)15-2-6-16-7-3-15/h2-3,6-7,11-12,14,17H,4-5,8-10H2,1H3
InChIKeyNDFCCERHONKPHA-UHFFFAOYSA-N
XLogP1.57
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 119114328
N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 43675359
(4-ethylpiperazin-1-yl)-[4-[4-[(1-methylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]methanone
CID 42278318
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine
CID 79231652
(3R)-1-(3-chloro-4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97340201
N-(cyclopropylmethyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166652
N-[(1-methylpyrazol-4-yl)methyl]bicyclo[3.1.0]hexan-3-amine
CID 130791747
N-[(2-methylcyclopropyl)methyl]-1-pyridin-4-ylpiperidin-4-amine
CID 113463722
1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine
CID 86772200
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 130171522
N-(pyridin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675588
N-[(1-methylpyrazol-4-yl)methyl]oxolan-3-amine
CID 63335876

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine (CID 61351170) is N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine is Cn1cc(CNC2CCN(c3ccncc3)CC2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine?
The InChIKey is NDFCCERHONKPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-19-12-13(11-18-19)10-17-14-4-8-20(9-5-14)15-2-6-16-7-3-15/h2-3,6-7,11-12,14,17H,4-5,8-10H2,1H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine?
N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine has a molecular weight of 271.37 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine is sourced from PubChem (CID 61351170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).