(3R)-1-[(1-benzyltetrazol-5-yl)methyl]-3-methylpiperazine

C14H20N6 — CID 104975221

IUPAC(3R)-1-[(1-benzyltetrazol-5-yl)methyl]-3-methylpiperazine
SMILESC[C@@H]1CN(Cc2nnnn2Cc2ccccc2)CCN1
InChIInChI=1S/C14H20N6/c1-12-9-19(8-7-15-12)11-14-16-17-18-20(14)10-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3/t12-/m1/s1
InChIKeyNVDPOQCTDAEXLB-GFCCVEGCSA-N
MW272.36 g/mol
LogP0.52
Rot. Bonds4

About (3R)-1-[(1-benzyltetrazol-5-yl)methyl]-3-methylpiperazine

(3R)-1-[(1-benzyltetrazol-5-yl)methyl]-3-methylpiperazine (PubChem CID 104975221) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is (3R)-1-[(1-benzyltetrazol-5-yl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-[(1-benzyltetrazol-5-yl)methyl]-3-methylpiperazine
PubChem CID104975221
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name(3R)-1-[(1-benzyltetrazol-5-yl)methyl]-3-methylpiperazine
SMILESC[C@@H]1CN(Cc2nnnn2Cc2ccccc2)CCN1
InChIInChI=1S/C14H20N6/c1-12-9-19(8-7-15-12)11-14-16-17-18-20(14)10-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3/t12-/m1/s1
InChIKeyNVDPOQCTDAEXLB-GFCCVEGCSA-N
XLogP0.52
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol
CID 103898432
1-benzyl-3-methylpiperazine;ethane
CID 166543639
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
(2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94017565
(2R,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94017567
1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol
CID 62916150
1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63264199
4,7-bis[(1-benzyltetrazol-5-yl)methyl]-1,4,7-triazonane-1-carbaldehyde
CID 53310713
4-[(1-benzyltetrazol-5-yl)methyl]piperidine
CID 84709168
(3S)-3-methyl-1-(2-phenylethyl)piperazine
CID 95243884
3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine
CID 119924639
1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 113267753

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-benzyltetrazol-5-yl)methyl]-3-methylpiperazine?
The IUPAC name of (3R)-1-[(1-benzyltetrazol-5-yl)methyl]-3-methylpiperazine (CID 104975221) is (3R)-1-[(1-benzyltetrazol-5-yl)methyl]-3-methylpiperazine.
What is the SMILES notation for (3R)-1-[(1-benzyltetrazol-5-yl)methyl]-3-methylpiperazine?
The canonical SMILES for (3R)-1-[(1-benzyltetrazol-5-yl)methyl]-3-methylpiperazine is C[C@@H]1CN(Cc2nnnn2Cc2ccccc2)CCN1.
What is the InChIKey of (3R)-1-[(1-benzyltetrazol-5-yl)methyl]-3-methylpiperazine?
The InChIKey is NVDPOQCTDAEXLB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N6/c1-12-9-19(8-7-15-12)11-14-16-17-18-20(14)10-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-1-[(1-benzyltetrazol-5-yl)methyl]-3-methylpiperazine?
(3R)-1-[(1-benzyltetrazol-5-yl)methyl]-3-methylpiperazine has a molecular weight of 272.36 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1-benzyltetrazol-5-yl)methyl]-3-methylpiperazine is sourced from PubChem (CID 104975221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).