(2S)-4-benzyl-2-(2H-tetrazol-5-yl)morpholine

C12H15N5O — CID 52809539

IUPAC(2S)-4-benzyl-2-(2H-tetrazol-5-yl)morpholine
SMILESc1ccc(CN2CCO[C@H](c3nn[nH]n3)C2)cc1
InChIInChI=1S/C12H15N5O/c1-2-4-10(5-3-1)8-17-6-7-18-11(9-17)12-13-15-16-14-12/h1-5,11H,6-9H2,(H,13,14,15,16)/t11-/m0/s1
InChIKeyNTUBGCSUPDGRHM-NSHDSACASA-N
MW245.29 g/mol
LogP0.77
Rot. Bonds3

About (2S)-4-benzyl-2-(2H-tetrazol-5-yl)morpholine

(2S)-4-benzyl-2-(2H-tetrazol-5-yl)morpholine (PubChem CID 52809539) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is (2S)-4-benzyl-2-(2H-tetrazol-5-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-benzyl-2-(2H-tetrazol-5-yl)morpholine
PubChem CID52809539
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name(2S)-4-benzyl-2-(2H-tetrazol-5-yl)morpholine
SMILESc1ccc(CN2CCO[C@H](c3nn[nH]n3)C2)cc1
InChIInChI=1S/C12H15N5O/c1-2-4-10(5-3-1)8-17-6-7-18-11(9-17)12-13-15-16-14-12/h1-5,11H,6-9H2,(H,13,14,15,16)/t11-/m0/s1
InChIKeyNTUBGCSUPDGRHM-NSHDSACASA-N
XLogP0.77
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine
CID 157018475
[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008119
(2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide
CID 51530238
4-benzyl-2-(tetrazolidin-5-yl)morpholine
CID 138059153
4-[(3,5-difluorophenyl)methyl]-2-pyridin-2-ylmorpholine
CID 127245674
N-[4-(4-benzylmorpholin-2-yl)phenyl]-1,1-diphenylmethanimine
CID 86670013
4-(4-benzylmorpholin-2-yl)-2-chlorophenol
CID 66654072
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
4-[(3-fluorophenyl)methyl]-2-pyridin-2-ylmorpholine
CID 110270812
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylmorpholine
CID 131900950
2-(2-methyltetrazol-5-yl)-4-[(3-pyrazol-1-ylphenyl)methyl]morpholine
CID 157011317
2-[(2S)-4-benzylmorpholin-2-yl]-4-piperidin-4-yl-1H-pyrimidin-6-one
CID 135890480

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-2-(2H-tetrazol-5-yl)morpholine?
The IUPAC name of (2S)-4-benzyl-2-(2H-tetrazol-5-yl)morpholine (CID 52809539) is (2S)-4-benzyl-2-(2H-tetrazol-5-yl)morpholine.
What is the SMILES notation for (2S)-4-benzyl-2-(2H-tetrazol-5-yl)morpholine?
The canonical SMILES for (2S)-4-benzyl-2-(2H-tetrazol-5-yl)morpholine is c1ccc(CN2CCO[C@H](c3nn[nH]n3)C2)cc1.
What is the InChIKey of (2S)-4-benzyl-2-(2H-tetrazol-5-yl)morpholine?
The InChIKey is NTUBGCSUPDGRHM-NSHDSACASA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-4-10(5-3-1)8-17-6-7-18-11(9-17)12-13-15-16-14-12/h1-5,11H,6-9H2,(H,13,14,15,16)/t11-/m0/s1.
What are the key properties of (2S)-4-benzyl-2-(2H-tetrazol-5-yl)morpholine?
(2S)-4-benzyl-2-(2H-tetrazol-5-yl)morpholine has a molecular weight of 245.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-2-(2H-tetrazol-5-yl)morpholine is sourced from PubChem (CID 52809539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).