1-[3-[4-(piperidin-1-ylmethyl)triazol-1-yl]propyl]piperidine

C16H29N5 — CID 51354872

IUPAC1-[3-[4-(piperidin-1-ylmethyl)triazol-1-yl]propyl]piperidine
SMILESc1c(CN2CCCCC2)nnn1CCCN1CCCCC1
InChIInChI=1S/C16H29N5/c1-3-8-19(9-4-1)12-7-13-21-15-16(17-18-21)14-20-10-5-2-6-11-20/h15H,1-14H2
InChIKeyRJNIWOVAVGYJBE-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.14
Rot. Bonds6

About 1-[3-[4-(piperidin-1-ylmethyl)triazol-1-yl]propyl]piperidine

1-[3-[4-(piperidin-1-ylmethyl)triazol-1-yl]propyl]piperidine (PubChem CID 51354872) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[3-[4-(piperidin-1-ylmethyl)triazol-1-yl]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-(piperidin-1-ylmethyl)triazol-1-yl]propyl]piperidine
PubChem CID51354872
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name1-[3-[4-(piperidin-1-ylmethyl)triazol-1-yl]propyl]piperidine
SMILESc1c(CN2CCCCC2)nnn1CCCN1CCCCC1
InChIInChI=1S/C16H29N5/c1-3-8-19(9-4-1)12-7-13-21-15-16(17-18-21)14-20-10-5-2-6-11-20/h15H,1-14H2
InChIKeyRJNIWOVAVGYJBE-UHFFFAOYSA-N
XLogP2.14
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(piperidin-1-ylmethyl)triazol-1-yl]propyl]piperidine?
The IUPAC name of 1-[3-[4-(piperidin-1-ylmethyl)triazol-1-yl]propyl]piperidine (CID 51354872) is 1-[3-[4-(piperidin-1-ylmethyl)triazol-1-yl]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-(piperidin-1-ylmethyl)triazol-1-yl]propyl]piperidine?
The canonical SMILES for 1-[3-[4-(piperidin-1-ylmethyl)triazol-1-yl]propyl]piperidine is c1c(CN2CCCCC2)nnn1CCCN1CCCCC1.
What is the InChIKey of 1-[3-[4-(piperidin-1-ylmethyl)triazol-1-yl]propyl]piperidine?
The InChIKey is RJNIWOVAVGYJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-3-8-19(9-4-1)12-7-13-21-15-16(17-18-21)14-20-10-5-2-6-11-20/h15H,1-14H2.
What are the key properties of 1-[3-[4-(piperidin-1-ylmethyl)triazol-1-yl]propyl]piperidine?
1-[3-[4-(piperidin-1-ylmethyl)triazol-1-yl]propyl]piperidine has a molecular weight of 291.44 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(piperidin-1-ylmethyl)triazol-1-yl]propyl]piperidine is sourced from PubChem (CID 51354872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).