1-(pyridin-4-ylmethyl)-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine

C19H22N6 — CID 86786877

IUPAC1-(pyridin-4-ylmethyl)-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine
SMILESc1cc(CN2CCC(Nc3ccc(-n4ccnn4)cc3)CC2)ccn1
InChIInChI=1S/C19H22N6/c1-3-19(25-14-11-21-23-25)4-2-17(1)22-18-7-12-24(13-8-18)15-16-5-9-20-10-6-16/h1-6,9-11,14,18,22H,7-8,12-13,15H2
InChIKeyZXXKXQWNGYDHDS-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.74
Rot. Bonds5

About 1-(pyridin-4-ylmethyl)-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine

1-(pyridin-4-ylmethyl)-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine (PubChem CID 86786877) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyl)-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine
PubChem CID86786877
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name1-(pyridin-4-ylmethyl)-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine
SMILESc1cc(CN2CCC(Nc3ccc(-n4ccnn4)cc3)CC2)ccn1
InChIInChI=1S/C19H22N6/c1-3-19(25-14-11-21-23-25)4-2-17(1)22-18-7-12-24(13-8-18)15-16-5-9-20-10-6-16/h1-6,9-11,14,18,22H,7-8,12-13,15H2
InChIKeyZXXKXQWNGYDHDS-UHFFFAOYSA-N
XLogP2.74
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethyl)-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine?
The IUPAC name of 1-(pyridin-4-ylmethyl)-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine (CID 86786877) is 1-(pyridin-4-ylmethyl)-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-(pyridin-4-ylmethyl)-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine?
The canonical SMILES for 1-(pyridin-4-ylmethyl)-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine is c1cc(CN2CCC(Nc3ccc(-n4ccnn4)cc3)CC2)ccn1.
What is the InChIKey of 1-(pyridin-4-ylmethyl)-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine?
The InChIKey is ZXXKXQWNGYDHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-3-19(25-14-11-21-23-25)4-2-17(1)22-18-7-12-24(13-8-18)15-16-5-9-20-10-6-16/h1-6,9-11,14,18,22H,7-8,12-13,15H2.
What are the key properties of 1-(pyridin-4-ylmethyl)-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine?
1-(pyridin-4-ylmethyl)-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine has a molecular weight of 334.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethyl)-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 86786877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).