1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidin-4-amine

C12H24N6 — CID 79867375

IUPAC1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidin-4-amine
SMILESCCCCn1nnnc1CN1CCC(N)C(C)C1
InChIInChI=1S/C12H24N6/c1-3-4-6-18-12(14-15-16-18)9-17-7-5-11(13)10(2)8-17/h10-11H,3-9,13H2,1-2H3
InChIKeyAWHVOHWJVGOLBW-UHFFFAOYSA-N
MW252.37 g/mol
LogP0.64
Rot. Bonds5

About 1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidin-4-amine

1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidin-4-amine (PubChem CID 79867375) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidin-4-amine
PubChem CID79867375
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidin-4-amine
SMILESCCCCn1nnnc1CN1CCC(N)C(C)C1
InChIInChI=1S/C12H24N6/c1-3-4-6-18-12(14-15-16-18)9-17-7-5-11(13)10(2)8-17/h10-11H,3-9,13H2,1-2H3
InChIKeyAWHVOHWJVGOLBW-UHFFFAOYSA-N
XLogP0.64
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,6S)-4-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94015004
1-[(1-butyltetrazol-5-yl)methyl]piperidine-4-carbaldehyde
CID 62655758
1-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 55174124
1-[(1-butyltetrazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)piperidine
CID 86773540
1-[(1-butyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63257489
3-[(1-propyltetrazol-5-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81490223
1-[(3S)-1-[(1-butyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 95585835
(3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine
CID 95309829
1-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylpiperazine
CID 63909068
2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104580
(2S)-4-[(1-butyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95289927
(2S)-1-[(1-butyltetrazol-5-yl)methyl]-2-methylpiperazine
CID 82714015

Frequently Asked Questions

What is the IUPAC name of 1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidin-4-amine?
The IUPAC name of 1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidin-4-amine (CID 79867375) is 1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidin-4-amine?
The canonical SMILES for 1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidin-4-amine is CCCCn1nnnc1CN1CCC(N)C(C)C1.
What is the InChIKey of 1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidin-4-amine?
The InChIKey is AWHVOHWJVGOLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-3-4-6-18-12(14-15-16-18)9-17-7-5-11(13)10(2)8-17/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidin-4-amine?
1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidin-4-amine has a molecular weight of 252.37 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidin-4-amine is sourced from PubChem (CID 79867375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).