4-[[(3R)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]morpholine

C18H26N6O — CID 126812435

IUPAC4-[[(3R)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]morpholine
SMILESCc1ccc(-n2nnnc2N2CCC[C@H](CN3CCOCC3)C2)cc1
InChIInChI=1S/C18H26N6O/c1-15-4-6-17(7-5-15)24-18(19-20-21-24)23-8-2-3-16(14-23)13-22-9-11-25-12-10-22/h4-7,16H,2-3,8-14H2,1H3/t16-/m1/s1
InChIKeyRLACZYWYDBCZOC-MRXNPFEDSA-N
MW342.45 g/mol
LogP1.52
Rot. Bonds4

About 4-[[(3R)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]morpholine

4-[[(3R)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]morpholine (PubChem CID 126812435) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 4-[[(3R)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(3R)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]morpholine
PubChem CID126812435
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name4-[[(3R)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]morpholine
SMILESCc1ccc(-n2nnnc2N2CCC[C@H](CN3CCOCC3)C2)cc1
InChIInChI=1S/C18H26N6O/c1-15-4-6-17(7-5-15)24-18(19-20-21-24)23-8-2-3-16(14-23)13-22-9-11-25-12-10-22/h4-7,16H,2-3,8-14H2,1H3/t16-/m1/s1
InChIKeyRLACZYWYDBCZOC-MRXNPFEDSA-N
XLogP1.52
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine
CID 133279610
N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide
CID 133274899
1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid
CID 122051249
(3S)-N-(cyclopropylmethyl)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxamide
CID 94521674
[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol
CID 47292903
4-[1-(4-methylphenyl)tetrazol-5-yl]-2-phenyl-1,4-oxazepane
CID 138998130
4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine
CID 99855918
4-[1-(4-methylphenyl)tetrazol-5-yl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 133281997
1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95191744
2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-4-carboxamide
CID 71996494
(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 102986512
1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[(3R)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]morpholine (CID 126812435) is 4-[[(3R)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(3R)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[(3R)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]morpholine is Cc1ccc(-n2nnnc2N2CCC[C@H](CN3CCOCC3)C2)cc1.
What is the InChIKey of 4-[[(3R)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]morpholine?
The InChIKey is RLACZYWYDBCZOC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N6O/c1-15-4-6-17(7-5-15)24-18(19-20-21-24)23-8-2-3-16(14-23)13-22-9-11-25-12-10-22/h4-7,16H,2-3,8-14H2,1H3/t16-/m1/s1.
What are the key properties of 4-[[(3R)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]morpholine?
4-[[(3R)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]morpholine has a molecular weight of 342.45 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]morpholine is sourced from PubChem (CID 126812435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).