N-[2-chloro-5-(tetrazol-1-yl)phenyl]-1-ethylpiperidin-4-amine

C14H19ClN6 — CID 43697974

IUPACN-[2-chloro-5-(tetrazol-1-yl)phenyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(Nc2cc(-n3cnnn3)ccc2Cl)CC1
InChIInChI=1S/C14H19ClN6/c1-2-20-7-5-11(6-8-20)17-14-9-12(3-4-13(14)15)21-10-16-18-19-21/h3-4,9-11,17H,2,5-8H2,1H3
InChIKeyXSIVZWTXSFTYJZ-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.21
Rot. Bonds4

About N-[2-chloro-5-(tetrazol-1-yl)phenyl]-1-ethylpiperidin-4-amine

N-[2-chloro-5-(tetrazol-1-yl)phenyl]-1-ethylpiperidin-4-amine (PubChem CID 43697974) has the molecular formula C14H19ClN6 and a molecular weight of 306.80 g/mol. Its IUPAC name is N-[2-chloro-5-(tetrazol-1-yl)phenyl]-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-chloro-5-(tetrazol-1-yl)phenyl]-1-ethylpiperidin-4-amine
PubChem CID43697974
Molecular FormulaC14H19ClN6
Molecular Weight306.80 g/mol
Exact Mass306.14
IUPAC NameN-[2-chloro-5-(tetrazol-1-yl)phenyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(Nc2cc(-n3cnnn3)ccc2Cl)CC1
InChIInChI=1S/C14H19ClN6/c1-2-20-7-5-11(6-8-20)17-14-9-12(3-4-13(14)15)21-10-16-18-19-21/h3-4,9-11,17H,2,5-8H2,1H3
InChIKeyXSIVZWTXSFTYJZ-UHFFFAOYSA-N
XLogP2.21
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-chloro-5-(tetrazol-1-yl)anilino]cyclohexan-1-ol
CID 106593857
N-[2-chloro-5-(tetrazol-1-yl)phenyl]azepan-4-amine
CID 103981190
2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline
CID 43697984
1-ethyl-N-[2-(tetrazol-1-yl)phenyl]azepan-4-amine
CID 65074659
2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline
CID 62072086
1-propyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine
CID 28621696
4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide
CID 65074007
2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline
CID 43698130
N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 59708623
2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol
CID 81401098
2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline
CID 55086376
N-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine
CID 65074551

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-1-ethylpiperidin-4-amine?
The IUPAC name of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-1-ethylpiperidin-4-amine (CID 43697974) is N-[2-chloro-5-(tetrazol-1-yl)phenyl]-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-1-ethylpiperidin-4-amine?
The canonical SMILES for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-1-ethylpiperidin-4-amine is CCN1CCC(Nc2cc(-n3cnnn3)ccc2Cl)CC1.
What is the InChIKey of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-1-ethylpiperidin-4-amine?
The InChIKey is XSIVZWTXSFTYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6/c1-2-20-7-5-11(6-8-20)17-14-9-12(3-4-13(14)15)21-10-16-18-19-21/h3-4,9-11,17H,2,5-8H2,1H3.
What are the key properties of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-1-ethylpiperidin-4-amine?
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-1-ethylpiperidin-4-amine has a molecular weight of 306.80 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-1-ethylpiperidin-4-amine is sourced from PubChem (CID 43697974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).