1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine

C17H30N6 — CID 654785

IUPAC1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
SMILESC1CCC(n2nnnc2CN2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C17H30N6/c1-2-8-16(9-3-1)23-17(18-19-20-23)14-21-10-12-22(13-11-21)15-6-4-5-7-15/h15-16H,1-14H2
InChIKeyNLGPHBIYANUJIV-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.24
Rot. Bonds4

About 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine

1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine (PubChem CID 654785) has the molecular formula C17H30N6 and a molecular weight of 318.47 g/mol. Its IUPAC name is 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
PubChem CID654785
Molecular FormulaC17H30N6
Molecular Weight318.47 g/mol
Exact Mass318.25
IUPAC Name1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
SMILESC1CCC(n2nnnc2CN2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C17H30N6/c1-2-8-16(9-3-1)23-17(18-19-20-23)14-21-10-12-22(13-11-21)15-6-4-5-7-15/h15-16H,1-14H2
InChIKeyNLGPHBIYANUJIV-UHFFFAOYSA-N
XLogP2.24
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-butyl]-4-cyclopentyl-piperazine
CID 6602651
1-Cyclopentyl-4-[1-(1-cyclopentyl-1H-tetrazol-5-yl)-pentyl]-piperazine
CID 6603055
1-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-propyl]-4-cyclopentyl-piperazine
CID 6603476
1-Cyclohexyl-4-[1-(1-cyclopentyl-1H-tetrazol-5-yl)-pentyl]-piperazine
CID 656327
1-(1-Cyclopentyl-1H-tetrazol-5-ylmethyl)-piperidine
CID 861294
1-Cyclohexyl-5-pyrrolidin-1-ylmethyl-1H-tetrazole
CID 651214
1-[1-(1-tert-Butyl-1H-tetrazol-5-yl)-propyl]-4-cyclopentyl-piperazine
CID 655057
1-(1-tert-Butyl-1H-tetrazol-5-ylmethyl)-4-cyclopentyl-piperazine
CID 655281
Cyclohexyl-[1-(1-cyclopentyl-1H-tetrazol-5-yl)-2-methyl-propyl]-methyl-amine
CID 6602534
1-Cyclopentyl-4-[1-(1-isopropyl-1H-tetrazol-5-yl)-propyl]-piperazine
CID 6603189
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperidine
CID 9549573
Cyclohexyl-[1-(1-cyclopentyl-1H-tetrazol-5-yl)-2-methylpropyl]methylamine
CID 648509

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine?
The IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine (CID 654785) is 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine.
What is the SMILES notation for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine?
The canonical SMILES for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine is C1CCC(n2nnnc2CN2CCN(C3CCCC3)CC2)CC1.
What is the InChIKey of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine?
The InChIKey is NLGPHBIYANUJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6/c1-2-8-16(9-3-1)23-17(18-19-20-23)14-21-10-12-22(13-11-21)15-6-4-5-7-15/h15-16H,1-14H2.
What are the key properties of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine?
1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine has a molecular weight of 318.47 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine is sourced from PubChem (CID 654785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).