(3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine

C12H23N5O — CID 96538871

IUPAC(3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine
SMILESCCCn1nnnc1CN1CCC[C@@H](COC)C1
InChIInChI=1S/C12H23N5O/c1-3-6-17-12(13-14-15-17)9-16-7-4-5-11(8-16)10-18-2/h11H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyWDXKYYMFZKEYIS-LLVKDONJSA-N
MW253.35 g/mol
LogP0.94
Rot. Bonds6

About (3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine

(3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine (PubChem CID 96538871) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is (3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine
PubChem CID96538871
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name(3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine
SMILESCCCn1nnnc1CN1CCC[C@@H](COC)C1
InChIInChI=1S/C12H23N5O/c1-3-6-17-12(13-14-15-17)9-16-7-4-5-11(8-16)10-18-2/h11H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyWDXKYYMFZKEYIS-LLVKDONJSA-N
XLogP0.94
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (3R)-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylate
CID 81337751
3-[(1-propyltetrazol-5-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81490223
(3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine
CID 95309829
(5R)-3,5-dimethyl-5-[(3S)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 97099056
4-(phenoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine
CID 86831886
1-[(1-propyltetrazol-5-yl)methyl]piperazine
CID 43090479
1-[(1-propyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63257316
1-[(3S)-1-[(1-butyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 95585835
3-methyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 107072228
1-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 55174124
2-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 96538841
1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidin-4-amine
CID 79867375

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine?
The IUPAC name of (3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine (CID 96538871) is (3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine.
What is the SMILES notation for (3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine?
The canonical SMILES for (3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine is CCCn1nnnc1CN1CCC[C@@H](COC)C1.
What is the InChIKey of (3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine?
The InChIKey is WDXKYYMFZKEYIS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23N5O/c1-3-6-17-12(13-14-15-17)9-16-7-4-5-11(8-16)10-18-2/h11H,3-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine?
(3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine has a molecular weight of 253.35 g/mol, XLogP of 0.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine is sourced from PubChem (CID 96538871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).