[1-[3-(triazol-1-yl)propyl]piperidin-4-yl]methanamine;hydrochloride

C11H22ClN5 — CID 121361380

IUPAC[1-[3-(triazol-1-yl)propyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(CCCn2ccnn2)CC1
InChIInChI=1S/C11H21N5.ClH/c12-10-11-2-7-15(8-3-11)5-1-6-16-9-4-13-14-16;/h4,9,11H,1-3,5-8,10,12H2;1H
InChIKeySHZKHVXGELYWFR-UHFFFAOYSA-N
MW259.78 g/mol
LogP0.76
Rot. Bonds5

About [1-[3-(triazol-1-yl)propyl]piperidin-4-yl]methanamine;hydrochloride

[1-[3-(triazol-1-yl)propyl]piperidin-4-yl]methanamine;hydrochloride (PubChem CID 121361380) has the molecular formula C11H22ClN5 and a molecular weight of 259.78 g/mol. Its IUPAC name is [1-[3-(triazol-1-yl)propyl]piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[3-(triazol-1-yl)propyl]piperidin-4-yl]methanamine;hydrochloride
PubChem CID121361380
Molecular FormulaC11H22ClN5
Molecular Weight259.78 g/mol
Exact Mass259.16
IUPAC Name[1-[3-(triazol-1-yl)propyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(CCCn2ccnn2)CC1
InChIInChI=1S/C11H21N5.ClH/c12-10-11-2-7-15(8-3-11)5-1-6-16-9-4-13-14-16;/h4,9,11H,1-3,5-8,10,12H2;1H
InChIKeySHZKHVXGELYWFR-UHFFFAOYSA-N
XLogP0.76
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(triazol-1-yl)propyl]piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-[3-(triazol-1-yl)propyl]piperidin-4-yl]methanamine;hydrochloride (CID 121361380) is [1-[3-(triazol-1-yl)propyl]piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[3-(triazol-1-yl)propyl]piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[3-(triazol-1-yl)propyl]piperidin-4-yl]methanamine;hydrochloride is Cl.NCC1CCN(CCCn2ccnn2)CC1.
What is the InChIKey of [1-[3-(triazol-1-yl)propyl]piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is SHZKHVXGELYWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5.ClH/c12-10-11-2-7-15(8-3-11)5-1-6-16-9-4-13-14-16;/h4,9,11H,1-3,5-8,10,12H2;1H.
What are the key properties of [1-[3-(triazol-1-yl)propyl]piperidin-4-yl]methanamine;hydrochloride?
[1-[3-(triazol-1-yl)propyl]piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(triazol-1-yl)propyl]piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 121361380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).