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

C14H25N5 — CID 120851131

IUPAC1-(piperidin-4-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESc1ncn(CC2CCN(CC3CCNCC3)CC2)n1
InChIInChI=1S/C14H25N5/c1-5-15-6-2-13(1)9-18-7-3-14(4-8-18)10-19-12-16-11-17-19/h11-15H,1-10H2
InChIKeyAMQFWQMMJLTWMN-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.99
Rot. Bonds4

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

1-(piperidin-4-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine (PubChem CID 120851131) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 1-(piperidin-4-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(piperidin-4-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine
PubChem CID120851131
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name1-(piperidin-4-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESc1ncn(CC2CCN(CC3CCNCC3)CC2)n1
InChIInChI=1S/C14H25N5/c1-5-15-6-2-13(1)9-18-7-3-14(4-8-18)10-19-12-16-11-17-19/h11-15H,1-10H2
InChIKeyAMQFWQMMJLTWMN-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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Related Compounds

1-(piperidin-3-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine
CID 120851129
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
1-[[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]cyclobutan-1-ol
CID 136533417
1-[(4-bromophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine
CID 122139070
1-[(4-methylcyclohexyl)methyl]-1,2,4-triazole
CID 130166985
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
4-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyridine
CID 18328928
cis-(1S,3R)-3-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-amine
CID 59689224
4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine
CID 61244264
N-methyl-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanamine
CID 156720132
1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine;dihydrochloride
CID 54594853
[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanamine
CID 119909413

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The IUPAC name of 1-(piperidin-4-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine (CID 120851131) is 1-(piperidin-4-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-(piperidin-4-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-(piperidin-4-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine is c1ncn(CC2CCN(CC3CCNCC3)CC2)n1.
What is the InChIKey of 1-(piperidin-4-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The InChIKey is AMQFWQMMJLTWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-5-15-6-2-13(1)9-18-7-3-14(4-8-18)10-19-12-16-11-17-19/h11-15H,1-10H2.
What are the key properties of 1-(piperidin-4-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine?
1-(piperidin-4-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-4-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine is sourced from PubChem (CID 120851131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).