N,4-dimethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-amine

C12H24N6 — CID 115304896

IUPACN,4-dimethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-amine
SMILESCCCn1nnnc1CN1CCC(C)(NC)CC1
InChIInChI=1S/C12H24N6/c1-4-7-18-11(14-15-16-18)10-17-8-5-12(2,13-3)6-9-17/h13H,4-10H2,1-3H3
InChIKeyKJVBORXAKBKJPZ-UHFFFAOYSA-N
MW252.37 g/mol
LogP0.66
Rot. Bonds5

About N,4-dimethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-amine

N,4-dimethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-amine (PubChem CID 115304896) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is N,4-dimethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-amine
PubChem CID115304896
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC NameN,4-dimethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-amine
SMILESCCCn1nnnc1CN1CCC(C)(NC)CC1
InChIInChI=1S/C12H24N6/c1-4-7-18-11(14-15-16-18)10-17-8-5-12(2,13-3)6-9-17/h13H,4-10H2,1-3H3
InChIKeyKJVBORXAKBKJPZ-UHFFFAOYSA-N
XLogP0.66
TPSA58.87 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 ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-propyltetrazol-5-yl)methyl]piperazine
CID 43090479
1-methylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazine
CID 27128878
N-propan-2-yl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 86908514
1-[(1-butyltetrazol-5-yl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55167123
1-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 55174124
(2R)-N-cyclopropyl-2-hydroxy-2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]acetamide
CID 129490316
1-[(1-propyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63257316
3-[(1-propyltetrazol-5-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81490223
1-[bis(4-fluorophenyl)methyl]-4-[(1-propyltetrazol-5-yl)methyl]piperazine
CID 36840528
N-[(2R)-2-hydroxypropyl]-1-[(1-propyltetrazol-5-yl)methyl]piperidine-4-carboxamide
CID 94028435
(3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine
CID 96538871
N-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]benzamide
CID 33107610

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of N,4-dimethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-amine (CID 115304896) is N,4-dimethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N,4-dimethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for N,4-dimethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-amine is CCCn1nnnc1CN1CCC(C)(NC)CC1.
What is the InChIKey of N,4-dimethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is KJVBORXAKBKJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-4-7-18-11(14-15-16-18)10-17-8-5-12(2,13-3)6-9-17/h13H,4-10H2,1-3H3.
What are the key properties of N,4-dimethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-amine?
N,4-dimethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 252.37 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 115304896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).