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

C15H22N6 — CID 62659787

IUPAC4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(tetrazol-1-yl)aniline
SMILESCc1ccc(NCC2CCCN(C)C2)cc1-n1cnnn1
InChIInChI=1S/C15H22N6/c1-12-5-6-14(8-15(12)21-11-17-18-19-21)16-9-13-4-3-7-20(2)10-13/h5-6,8,11,13,16H,3-4,7,9-10H2,1-2H3
InChIKeyCFYGZHCRVHSVDK-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.72
Rot. Bonds4

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

4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(tetrazol-1-yl)aniline (PubChem CID 62659787) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(tetrazol-1-yl)aniline
PubChem CID62659787
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(tetrazol-1-yl)aniline
SMILESCc1ccc(NCC2CCCN(C)C2)cc1-n1cnnn1
InChIInChI=1S/C15H22N6/c1-12-5-6-14(8-15(12)21-11-17-18-19-21)16-9-13-4-3-7-20(2)10-13/h5-6,8,11,13,16H,3-4,7,9-10H2,1-2H3
InChIKeyCFYGZHCRVHSVDK-UHFFFAOYSA-N
XLogP1.72
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 82835839
2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzonitrile
CID 81273459
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methyl-3-(tetrazol-1-yl)aniline
CID 43789577
2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzenecarbothioamide
CID 81276733
4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline
CID 43738043
2-(cyclopropylmethylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119720369
N-[(1-methylpiperidin-3-yl)methyl]quinoxalin-6-amine
CID 55100756
4-methyl-N-(2-methylcyclopentyl)-3-(tetrazol-1-yl)aniline
CID 65044046
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-methyl-3-(tetrazol-1-yl)anilino]acetamide
CID 33011990
N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 51134126
N-(1-cyclopropylpropyl)-4-methyl-3-(tetrazol-1-yl)aniline
CID 64920339
N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 62656159

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(tetrazol-1-yl)aniline?
The IUPAC name of 4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(tetrazol-1-yl)aniline (CID 62659787) is 4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(tetrazol-1-yl)aniline.
What is the SMILES notation for 4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(tetrazol-1-yl)aniline?
The canonical SMILES for 4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(tetrazol-1-yl)aniline is Cc1ccc(NCC2CCCN(C)C2)cc1-n1cnnn1.
What is the InChIKey of 4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(tetrazol-1-yl)aniline?
The InChIKey is CFYGZHCRVHSVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-12-5-6-14(8-15(12)21-11-17-18-19-21)16-9-13-4-3-7-20(2)10-13/h5-6,8,11,13,16H,3-4,7,9-10H2,1-2H3.
What are the key properties of 4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(tetrazol-1-yl)aniline?
4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(tetrazol-1-yl)aniline has a molecular weight of 286.38 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(tetrazol-1-yl)aniline is sourced from PubChem (CID 62659787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).