1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine

C12H22N6 — CID 120774569

IUPAC1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(Cc2nnnn2C2CC2)CCC1N
InChIInChI=1S/C12H22N6/c1-12(2)8-17(6-5-10(12)13)7-11-14-15-16-18(11)9-3-4-9/h9-10H,3-8,13H2,1-2H3
InChIKeyKBSPCDCZLPKJEA-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.57
Rot. Bonds3

About 1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine

1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 120774569) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine
PubChem CID120774569
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(Cc2nnnn2C2CC2)CCC1N
InChIInChI=1S/C12H22N6/c1-12(2)8-17(6-5-10(12)13)7-11-14-15-16-18(11)9-3-4-9/h9-10H,3-8,13H2,1-2H3
InChIKeyKBSPCDCZLPKJEA-UHFFFAOYSA-N
XLogP0.57
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-amine
CID 120775351
1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane
CID 47022227
1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120775540
3,3-dimethyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-amine
CID 120776522
3,3-dimethyl-1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120775209
1,4-bis[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazine
CID 60565467
2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 37268796
3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine
CID 120847083
1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine
CID 858492
1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-3-methylimidazolidin-2-one
CID 56780089
4-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]methyl]morpholine
CID 47053718
2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 63312298

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine (CID 120774569) is 1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine is CC1(C)CN(Cc2nnnn2C2CC2)CCC1N.
What is the InChIKey of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine?
The InChIKey is KBSPCDCZLPKJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-12(2)8-17(6-5-10(12)13)7-11-14-15-16-18(11)9-3-4-9/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine?
1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120774569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).