1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium

C16H30N5+ — CID 6949776

IUPAC1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium
SMILESCC(C)[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCCCC1
InChIInChI=1S/C16H29N5/c1-13(2)15(20-11-7-4-8-12-20)16-17-18-19-21(16)14-9-5-3-6-10-14/h13-15H,3-12H2,1-2H3/p+1/t15-/m0/s1
InChIKeyIMCKNUZCFYMXJD-HNNXBMFYSA-O
MW292.45 g/mol
LogP1.94
Rot. Bonds4

About 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium

1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium (PubChem CID 6949776) has the molecular formula C16H30N5+ and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium.

Molecular Properties

Compound Name1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium
PubChem CID6949776
Molecular FormulaC16H30N5+
Molecular Weight292.45 g/mol
Exact Mass292.25
IUPAC Name1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium
SMILESCC(C)[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCCCC1
InChIInChI=1S/C16H29N5/c1-13(2)15(20-11-7-4-8-12-20)16-17-18-19-21(16)14-9-5-3-6-10-14/h13-15H,3-12H2,1-2H3/p+1/t15-/m0/s1
InChIKeyIMCKNUZCFYMXJD-HNNXBMFYSA-O
XLogP1.94
TPSA48.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium?
The IUPAC name of 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium (CID 6949776) is 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium.
What is the SMILES notation for 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium?
The canonical SMILES for 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium is CC(C)[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCCCC1.
What is the InChIKey of 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium?
The InChIKey is IMCKNUZCFYMXJD-HNNXBMFYSA-O. The full InChI is InChI=1S/C16H29N5/c1-13(2)15(20-11-7-4-8-12-20)16-17-18-19-21(16)14-9-5-3-6-10-14/h13-15H,3-12H2,1-2H3/p+1/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium?
1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium has a molecular weight of 292.45 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium is sourced from PubChem (CID 6949776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).