1-(piperidin-3-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine

C14H25N5 — CID 120851129

IUPAC1-(piperidin-3-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESc1ncn(CC2CCN(CC3CCCNC3)CC2)n1
InChIInChI=1S/C14H25N5/c1-2-14(8-15-5-1)9-18-6-3-13(4-7-18)10-19-12-16-11-17-19/h11-15H,1-10H2
InChIKeyLTTBHKFQVICMSX-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.99
Rot. Bonds4

About 1-(piperidin-3-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine

1-(piperidin-3-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine (PubChem CID 120851129) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 1-(piperidin-3-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(piperidin-3-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine
PubChem CID120851129
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name1-(piperidin-3-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESc1ncn(CC2CCN(CC3CCCNC3)CC2)n1
InChIInChI=1S/C14H25N5/c1-2-14(8-15-5-1)9-18-6-3-13(4-7-18)10-19-12-16-11-17-19/h11-15H,1-10H2
InChIKeyLTTBHKFQVICMSX-UHFFFAOYSA-N
XLogP0.99
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-3-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The IUPAC name of 1-(piperidin-3-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine (CID 120851129) is 1-(piperidin-3-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-(piperidin-3-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-(piperidin-3-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine is c1ncn(CC2CCN(CC3CCCNC3)CC2)n1.
What is the InChIKey of 1-(piperidin-3-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The InChIKey is LTTBHKFQVICMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-2-14(8-15-5-1)9-18-6-3-13(4-7-18)10-19-12-16-11-17-19/h11-15H,1-10H2.
What are the key properties of 1-(piperidin-3-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine?
1-(piperidin-3-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine has a molecular weight of 263.39 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-3-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine is sourced from PubChem (CID 120851129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).