1-[(3-methylpyrrolidin-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidine;hydrochloride

C14H26ClN5 — CID 120901831

IUPAC1-[(3-methylpyrrolidin-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidine;hydrochloride
SMILESCC1(CN2CCCC(Cn3ccnn3)C2)CCNC1.Cl
InChIInChI=1S/C14H25N5.ClH/c1-14(4-5-15-11-14)12-18-7-2-3-13(9-18)10-19-8-6-16-17-19;/h6,8,13,15H,2-5,7,9-12H2,1H3;1H
InChIKeyLSAGHFCRBMXDDT-UHFFFAOYSA-N
MW299.85 g/mol
LogP1.41
Rot. Bonds4

About 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidine;hydrochloride

1-[(3-methylpyrrolidin-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidine;hydrochloride (PubChem CID 120901831) has the molecular formula C14H26ClN5 and a molecular weight of 299.85 g/mol. Its IUPAC name is 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-[(3-methylpyrrolidin-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidine;hydrochloride
PubChem CID120901831
Molecular FormulaC14H26ClN5
Molecular Weight299.85 g/mol
Exact Mass299.19
IUPAC Name1-[(3-methylpyrrolidin-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidine;hydrochloride
SMILESCC1(CN2CCCC(Cn3ccnn3)C2)CCNC1.Cl
InChIInChI=1S/C14H25N5.ClH/c1-14(4-5-15-11-14)12-18-7-2-3-13(9-18)10-19-8-6-16-17-19;/h6,8,13,15H,2-5,7,9-12H2,1H3;1H
InChIKeyLSAGHFCRBMXDDT-UHFFFAOYSA-N
XLogP1.41
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidine;hydrochloride?
The IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidine;hydrochloride (CID 120901831) is 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidine;hydrochloride?
The canonical SMILES for 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidine;hydrochloride is CC1(CN2CCCC(Cn3ccnn3)C2)CCNC1.Cl.
What is the InChIKey of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidine;hydrochloride?
The InChIKey is LSAGHFCRBMXDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5.ClH/c1-14(4-5-15-11-14)12-18-7-2-3-13(9-18)10-19-8-6-16-17-19;/h6,8,13,15H,2-5,7,9-12H2,1H3;1H.
What are the key properties of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidine;hydrochloride?
1-[(3-methylpyrrolidin-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidine;hydrochloride has a molecular weight of 299.85 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 120901831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).