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

C19H31ClN6O — CID 6603656

IUPAC1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperazine;hydrochloride
SMILESCC(C)C(c1nnnn1Cc1ccco1)N1CCN(C2CCCC2)CC1.Cl
InChIInChI=1S/C19H30N6O.ClH/c1-15(2)18(19-20-21-22-25(19)14-17-8-5-13-26-17)24-11-9-23(10-12-24)16-6-3-4-7-16;/h5,8,13,15-16,18H,3-4,6-7,9-12,14H2,1-2H3;1H
InChIKeyFPRLCCOPYOMPDF-UHFFFAOYSA-N
MW394.95 g/mol
LogP2.99
Rot. Bonds6

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

1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperazine;hydrochloride (PubChem CID 6603656) has the molecular formula C19H31ClN6O and a molecular weight of 394.95 g/mol. Its IUPAC name is 1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperazine;hydrochloride
PubChem CID6603656
Molecular FormulaC19H31ClN6O
Molecular Weight394.95 g/mol
Exact Mass394.22
IUPAC Name1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperazine;hydrochloride
SMILESCC(C)C(c1nnnn1Cc1ccco1)N1CCN(C2CCCC2)CC1.Cl
InChIInChI=1S/C19H30N6O.ClH/c1-15(2)18(19-20-21-22-25(19)14-17-8-5-13-26-17)24-11-9-23(10-12-24)16-6-3-4-7-16;/h5,8,13,15-16,18H,3-4,6-7,9-12,14H2,1-2H3;1H
InChIKeyFPRLCCOPYOMPDF-UHFFFAOYSA-N
XLogP2.99
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperazine;hydrochloride?
The IUPAC name of 1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperazine;hydrochloride (CID 6603656) is 1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperazine;hydrochloride?
The canonical SMILES for 1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperazine;hydrochloride is CC(C)C(c1nnnn1Cc1ccco1)N1CCN(C2CCCC2)CC1.Cl.
What is the InChIKey of 1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperazine;hydrochloride?
The InChIKey is FPRLCCOPYOMPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O.ClH/c1-15(2)18(19-20-21-22-25(19)14-17-8-5-13-26-17)24-11-9-23(10-12-24)16-6-3-4-7-16;/h5,8,13,15-16,18H,3-4,6-7,9-12,14H2,1-2H3;1H.
What are the key properties of 1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperazine;hydrochloride?
1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperazine;hydrochloride has a molecular weight of 394.95 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperazine;hydrochloride is sourced from PubChem (CID 6603656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).