1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium

C12H22N5+ — CID 7125273

IUPAC1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium
SMILESC1CC[NH+](Cc2nnnn2C2CCCC2)CC1
InChIInChI=1S/C12H21N5/c1-4-8-16(9-5-1)10-12-13-14-15-17(12)11-6-2-3-7-11/h11H,1-10H2/p+1
InChIKeyKQULFGVVJDMLEY-UHFFFAOYSA-O
MW236.34 g/mol
LogP0.36
Rot. Bonds3

About 1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium

1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium (PubChem CID 7125273) has the molecular formula C12H22N5+ and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium
PubChem CID7125273
Molecular FormulaC12H22N5+
Molecular Weight236.34 g/mol
Exact Mass236.19
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium
SMILESC1CC[NH+](Cc2nnnn2C2CCCC2)CC1
InChIInChI=1S/C12H21N5/c1-4-8-16(9-5-1)10-12-13-14-15-17(12)11-6-2-3-7-11/h11H,1-10H2/p+1
InChIKeyKQULFGVVJDMLEY-UHFFFAOYSA-O
XLogP0.36
TPSA48.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzhydryl-4-[(1-cyclopentyltetrazol-5-yl)methyl]piperazine-1,4-diium
CID 7221369
3-(1-cycloheptyltetrazol-5-yl)propan-1-amine
CID 82228405
1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine
CID 858492
1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane
CID 47022227
1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine-1,4-diium
CID 6951783
N-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine
CID 57399061
(1R,5S)-8-[(1-cyclopentyltetrazol-5-yl)methyl]-3-(4-fluorophenyl)-8-azoniabicyclo[3.2.1]octan-3-ol
CID 7226903
N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide
CID 30295250
1-(4-chlorophenyl)-2-(1-cyclohexyltetrazol-5-yl)ethanone
CID 134907750
1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
(4aR,8aS)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 94083773
1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazine-1,4-diium
CID 7383831

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium (CID 7125273) is 1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium is C1CC[NH+](Cc2nnnn2C2CCCC2)CC1.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium?
The InChIKey is KQULFGVVJDMLEY-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H21N5/c1-4-8-16(9-5-1)10-12-13-14-15-17(12)11-6-2-3-7-11/h11H,1-10H2/p+1.
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium?
1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium has a molecular weight of 236.34 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium is sourced from PubChem (CID 7125273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).