(3S)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidin-1-ium

C14H26N5+ — CID 7140673

IUPAC(3S)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidin-1-ium
SMILESC[C@H]1CCC[NH+](Cc2nnnn2C2CCCCC2)C1
InChIInChI=1S/C14H25N5/c1-12-6-5-9-18(10-12)11-14-15-16-17-19(14)13-7-3-2-4-8-13/h12-13H,2-11H2,1H3/p+1/t12-/m0/s1
InChIKeyBDPMBMNWOFCLAH-LBPRGKRZSA-O
MW264.40 g/mol
LogP0.99
Rot. Bonds3

About (3S)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidin-1-ium

(3S)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidin-1-ium (PubChem CID 7140673) has the molecular formula C14H26N5+ and a molecular weight of 264.40 g/mol. Its IUPAC name is (3S)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidin-1-ium.

Molecular Properties

Compound Name(3S)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidin-1-ium
PubChem CID7140673
Molecular FormulaC14H26N5+
Molecular Weight264.40 g/mol
Exact Mass264.22
IUPAC Name(3S)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidin-1-ium
SMILESC[C@H]1CCC[NH+](Cc2nnnn2C2CCCCC2)C1
InChIInChI=1S/C14H25N5/c1-12-6-5-9-18(10-12)11-14-15-16-17-19(14)13-7-3-2-4-8-13/h12-13H,2-11H2,1H3/p+1/t12-/m0/s1
InChIKeyBDPMBMNWOFCLAH-LBPRGKRZSA-O
XLogP0.99
TPSA48.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidin-1-ium?
The IUPAC name of (3S)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidin-1-ium (CID 7140673) is (3S)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidin-1-ium.
What is the SMILES notation for (3S)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidin-1-ium?
The canonical SMILES for (3S)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidin-1-ium is C[C@H]1CCC[NH+](Cc2nnnn2C2CCCCC2)C1.
What is the InChIKey of (3S)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidin-1-ium?
The InChIKey is BDPMBMNWOFCLAH-LBPRGKRZSA-O. The full InChI is InChI=1S/C14H25N5/c1-12-6-5-9-18(10-12)11-14-15-16-17-19(14)13-7-3-2-4-8-13/h12-13H,2-11H2,1H3/p+1/t12-/m0/s1.
What are the key properties of (3S)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidin-1-ium?
(3S)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidin-1-ium has a molecular weight of 264.40 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidin-1-ium is sourced from PubChem (CID 7140673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).