1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride

C16H25ClN6O — CID 6603445

IUPAC1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
SMILESCl.c1coc(Cn2nnnc2CN2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C16H24N6O.ClH/c1-2-5-14(4-1)21-9-7-20(8-10-21)13-16-17-18-19-22(16)12-15-6-3-11-23-15;/h3,6,11,14H,1-2,4-5,7-10,12-13H2;1H
InChIKeyWJOLYNPEYCWJAP-UHFFFAOYSA-N
MW352.87 g/mol
LogP1.80
Rot. Bonds5

About 1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride

1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride (PubChem CID 6603445) has the molecular formula C16H25ClN6O and a molecular weight of 352.87 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
PubChem CID6603445
Molecular FormulaC16H25ClN6O
Molecular Weight352.87 g/mol
Exact Mass352.18
IUPAC Name1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
SMILESCl.c1coc(Cn2nnnc2CN2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C16H24N6O.ClH/c1-2-5-14(4-1)21-9-7-20(8-10-21)13-16-17-18-19-22(16)12-15-6-3-11-23-15;/h3,6,11,14H,1-2,4-5,7-10,12-13H2;1H
InChIKeyWJOLYNPEYCWJAP-UHFFFAOYSA-N
XLogP1.80
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

{4-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-butyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 24792460
1-Cyclopentyl-4-[1-(1-furan-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 644666
(4-tert-Butyl-benzyl)-(1-cyclopentyl-1H-tetrazol-5-ylmethyl)-furan-2-ylmethyl-amine
CID 1439003
[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-furan-2-ylmethyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 3193712
(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-furan-2-ylmethyl-thiophen-2-ylmethyl-amine
CID 6602581
Furan-2-yl-(4-{1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-3-methyl-butyl}-piperazin-1-yl)-methanone
CID 6602626
Furan-2-yl-(4-{1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-pentyl}-piperazin-1-yl)-methanone
CID 6602648
{4-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-3-methyl-butyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 6603076
1-[1-(1-Furan-2-ylmethyl-1H-tetrazol-5-yl)-propyl]-piperidine-4-carboxylic acid amide
CID 6603081
{4-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-butyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 6603459
1-Cyclopentyl-4-[1-(1-furan-2-ylmethyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperazine
CID 6603656
[4-[1-(1-Tert-butyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
CID 16192649

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride (CID 6603445) is 1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride is Cl.c1coc(Cn2nnnc2CN2CCN(C3CCCC3)CC2)c1.
What is the InChIKey of 1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
The InChIKey is WJOLYNPEYCWJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O.ClH/c1-2-5-14(4-1)21-9-7-20(8-10-21)13-16-17-18-19-22(16)12-15-6-3-11-23-15;/h3,6,11,14H,1-2,4-5,7-10,12-13H2;1H.
What are the key properties of 1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 6603445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).