1-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-N-methylmethanamine

C13H26N6 — CID 55174124

IUPAC1-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-N-methylmethanamine
SMILESCCCCn1nnnc1CN1CCC(CNC)CC1
InChIInChI=1S/C13H26N6/c1-3-4-7-19-13(15-16-17-19)11-18-8-5-12(6-9-18)10-14-2/h12,14H,3-11H2,1-2H3
InChIKeyGODCXDAPRGULCO-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.90
Rot. Bonds7

About 1-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-N-methylmethanamine

1-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-N-methylmethanamine (PubChem CID 55174124) has the molecular formula C13H26N6 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-N-methylmethanamine
PubChem CID55174124
Molecular FormulaC13H26N6
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC Name1-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-N-methylmethanamine
SMILESCCCCn1nnnc1CN1CCC(CNC)CC1
InChIInChI=1S/C13H26N6/c1-3-4-7-19-13(15-16-17-19)11-18-8-5-12(6-9-18)10-14-2/h12,14H,3-11H2,1-2H3
InChIKeyGODCXDAPRGULCO-UHFFFAOYSA-N
XLogP0.90
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-butyltetrazol-5-yl)methyl]piperidine-4-carbaldehyde
CID 62655758
1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidin-4-amine
CID 79867375
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
1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63264199
(2R,6S)-4-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94015004
2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104580
4-(phenoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine
CID 86831886
4-[[(1-butyltetrazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79529658
N,4-dimethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-amine
CID 115304896
1-[(1-propyltetrazol-5-yl)methyl]piperazine
CID 43090479
(3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine
CID 96538871

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-N-methylmethanamine (CID 55174124) is 1-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-N-methylmethanamine is CCCCn1nnnc1CN1CCC(CNC)CC1.
What is the InChIKey of 1-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-N-methylmethanamine?
The InChIKey is GODCXDAPRGULCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6/c1-3-4-7-19-13(15-16-17-19)11-18-8-5-12(6-9-18)10-14-2/h12,14H,3-11H2,1-2H3.
What are the key properties of 1-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-N-methylmethanamine?
1-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-N-methylmethanamine has a molecular weight of 266.39 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 55174124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).