N-[2-(3-methylpyrazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine

C21H25N5 — CID 75516974

IUPACN-[2-(3-methylpyrazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCc1ccn(-c2ccccc2NC2CCN(Cc3ccncc3)CC2)n1
InChIInChI=1S/C21H25N5/c1-17-8-15-26(24-17)21-5-3-2-4-20(21)23-19-9-13-25(14-10-19)16-18-6-11-22-12-7-18/h2-8,11-12,15,19,23H,9-10,13-14,16H2,1H3
InChIKeyWXXWKFHURIRTRM-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.65
Rot. Bonds5

About N-[2-(3-methylpyrazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine

N-[2-(3-methylpyrazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine (PubChem CID 75516974) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-[2-(3-methylpyrazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(3-methylpyrazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
PubChem CID75516974
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC NameN-[2-(3-methylpyrazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCc1ccn(-c2ccccc2NC2CCN(Cc3ccncc3)CC2)n1
InChIInChI=1S/C21H25N5/c1-17-8-15-26(24-17)21-5-3-2-4-20(21)23-19-9-13-25(14-10-19)16-18-6-11-22-12-7-18/h2-8,11-12,15,19,23H,9-10,13-14,16H2,1H3
InChIKeyWXXWKFHURIRTRM-UHFFFAOYSA-N
XLogP3.65
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazol-1-ylphenyl)-1-propylpiperidin-4-amine
CID 43673485
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine
CID 75430820
1-(pyridin-4-ylmethyl)-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine
CID 86786877
4-[(4-ethenylpiperidin-1-yl)methyl]pyridine
CID 142137767
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 3059133
4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 90245740
1-ethyl-N-[2-(tetrazol-1-yl)phenyl]azepan-4-amine
CID 65074659
5-N-(1-benzylpiperidin-4-yl)isoquinoline-5,8-diamine
CID 113223215
1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049579
N-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide
CID 75472607
1-benzyl-N-methylpiperidin-4-amine
CID 4136128

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpyrazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[2-(3-methylpyrazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine (CID 75516974) is N-[2-(3-methylpyrazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[2-(3-methylpyrazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[2-(3-methylpyrazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine is Cc1ccn(-c2ccccc2NC2CCN(Cc3ccncc3)CC2)n1.
What is the InChIKey of N-[2-(3-methylpyrazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The InChIKey is WXXWKFHURIRTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-17-8-15-26(24-17)21-5-3-2-4-20(21)23-19-9-13-25(14-10-19)16-18-6-11-22-12-7-18/h2-8,11-12,15,19,23H,9-10,13-14,16H2,1H3.
What are the key properties of N-[2-(3-methylpyrazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
N-[2-(3-methylpyrazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine has a molecular weight of 347.47 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpyrazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 75516974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).