1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]-4-methylpiperazine

C17H31N5 — CID 51354870

IUPAC1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCn2cc(CC3CCCCC3)nn2)CC1
InChIInChI=1S/C17H31N5/c1-20-10-12-21(13-11-20)8-5-9-22-15-17(18-19-22)14-16-6-3-2-4-7-16/h15-16H,2-14H2,1H3
InChIKeyICSIZZWCCMPDKQ-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.04
Rot. Bonds6

About 1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]-4-methylpiperazine

1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]-4-methylpiperazine (PubChem CID 51354870) has the molecular formula C17H31N5 and a molecular weight of 305.47 g/mol. Its IUPAC name is 1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]-4-methylpiperazine
PubChem CID51354870
Molecular FormulaC17H31N5
Molecular Weight305.47 g/mol
Exact Mass305.26
IUPAC Name1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCn2cc(CC3CCCCC3)nn2)CC1
InChIInChI=1S/C17H31N5/c1-20-10-12-21(13-11-20)8-5-9-22-15-17(18-19-22)14-16-6-3-2-4-7-16/h15-16H,2-14H2,1H3
InChIKeyICSIZZWCCMPDKQ-UHFFFAOYSA-N
XLogP2.04
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]-4-methylpiperazine (CID 51354870) is 1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]-4-methylpiperazine is CN1CCN(CCCn2cc(CC3CCCCC3)nn2)CC1.
What is the InChIKey of 1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]-4-methylpiperazine?
The InChIKey is ICSIZZWCCMPDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5/c1-20-10-12-21(13-11-20)8-5-9-22-15-17(18-19-22)14-16-6-3-2-4-7-16/h15-16H,2-14H2,1H3.
What are the key properties of 1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]-4-methylpiperazine?
1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]-4-methylpiperazine has a molecular weight of 305.47 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]-4-methylpiperazine is sourced from PubChem (CID 51354870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).