2-(2-chloroethyl)-1-(1-phenyltetrazol-5-yl)piperidine

C14H18ClN5 — CID 63392298

IUPAC2-(2-chloroethyl)-1-(1-phenyltetrazol-5-yl)piperidine
SMILESClCCC1CCCCN1c1nnnn1-c1ccccc1
InChIInChI=1S/C14H18ClN5/c15-10-9-12-6-4-5-11-19(12)14-16-17-18-20(14)13-7-2-1-3-8-13/h1-3,7-8,12H,4-6,9-11H2
InChIKeyKWMCVVADRUYWEY-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.65
Rot. Bonds4

About 2-(2-chloroethyl)-1-(1-phenyltetrazol-5-yl)piperidine

2-(2-chloroethyl)-1-(1-phenyltetrazol-5-yl)piperidine (PubChem CID 63392298) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(1-phenyltetrazol-5-yl)piperidine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(1-phenyltetrazol-5-yl)piperidine
PubChem CID63392298
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name2-(2-chloroethyl)-1-(1-phenyltetrazol-5-yl)piperidine
SMILESClCCC1CCCCN1c1nnnn1-c1ccccc1
InChIInChI=1S/C14H18ClN5/c15-10-9-12-6-4-5-11-19(12)14-16-17-18-20(14)13-7-2-1-3-8-13/h1-3,7-8,12H,4-6,9-11H2
InChIKeyKWMCVVADRUYWEY-UHFFFAOYSA-N
XLogP2.65
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[2-(3-chloropropyl)pyrrolidin-1-yl]-1-phenyltetrazole
CID 63390156
5-[2-(chloromethyl)pyrrolidin-1-yl]-1-phenyltetrazole
CID 63389979
4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853
1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole
CID 97262694
N-(2-chloroethyl)-N-cyclopentyl-1-phenyltetrazol-5-amine
CID 63388458
1-[2-(2-chloroethyl)piperidin-1-yl]phthalazine
CID 63392510
N-[(1-butylpiperidin-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 133301225
4-[2-(2-chloroethyl)piperidin-1-yl]pyrimidine
CID 63391999
2-[2-(2-chloroethyl)piperidin-1-yl]-3-methylquinoxaline
CID 63392658
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
2-(2-chloroethyl)-1-(2-phenylethyl)piperidine
CID 63387052
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(1-phenyltetrazol-5-yl)piperidine?
The IUPAC name of 2-(2-chloroethyl)-1-(1-phenyltetrazol-5-yl)piperidine (CID 63392298) is 2-(2-chloroethyl)-1-(1-phenyltetrazol-5-yl)piperidine.
What is the SMILES notation for 2-(2-chloroethyl)-1-(1-phenyltetrazol-5-yl)piperidine?
The canonical SMILES for 2-(2-chloroethyl)-1-(1-phenyltetrazol-5-yl)piperidine is ClCCC1CCCCN1c1nnnn1-c1ccccc1.
What is the InChIKey of 2-(2-chloroethyl)-1-(1-phenyltetrazol-5-yl)piperidine?
The InChIKey is KWMCVVADRUYWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c15-10-9-12-6-4-5-11-19(12)14-16-17-18-20(14)13-7-2-1-3-8-13/h1-3,7-8,12H,4-6,9-11H2.
What are the key properties of 2-(2-chloroethyl)-1-(1-phenyltetrazol-5-yl)piperidine?
2-(2-chloroethyl)-1-(1-phenyltetrazol-5-yl)piperidine has a molecular weight of 291.79 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(1-phenyltetrazol-5-yl)piperidine is sourced from PubChem (CID 63392298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).