N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline

C14H20N6 — CID 62656159

IUPACN-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline
SMILESCN1CCC(CNc2cccc(-n3cnnn3)c2)CC1
InChIInChI=1S/C14H20N6/c1-19-7-5-12(6-8-19)10-15-13-3-2-4-14(9-13)20-11-16-17-18-20/h2-4,9,11-12,15H,5-8,10H2,1H3
InChIKeyCZWLTCGARRRCAE-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.42
Rot. Bonds4

About N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline

N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline (PubChem CID 62656159) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline
PubChem CID62656159
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline
SMILESCN1CCC(CNc2cccc(-n3cnnn3)c2)CC1
InChIInChI=1S/C14H20N6/c1-19-7-5-12(6-8-19)10-15-13-3-2-4-14(9-13)20-11-16-17-18-20/h2-4,9,11-12,15H,5-8,10H2,1H3
InChIKeyCZWLTCGARRRCAE-UHFFFAOYSA-N
XLogP1.42
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-3-(tetrazol-1-yl)aniline
CID 43683913
N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline
CID 62656928
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(tetrazol-1-yl)aniline
CID 43781128
N-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 107234994
N-[4-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]-3-(tetrazol-1-yl)benzamide
CID 110244606
N-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline
CID 43692027
N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 43683929
8-methyl-N-[3-(tetrazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43683977
N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline
CID 64920522
3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655260
N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 60694837
3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62475298

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline (CID 62656159) is N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline is CN1CCC(CNc2cccc(-n3cnnn3)c2)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline?
The InChIKey is CZWLTCGARRRCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-19-7-5-12(6-8-19)10-15-13-3-2-4-14(9-13)20-11-16-17-18-20/h2-4,9,11-12,15H,5-8,10H2,1H3.
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline?
N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline has a molecular weight of 272.36 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline is sourced from PubChem (CID 62656159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).