[4-(1-benzylpiperidin-4-yl)morpholin-2-yl]methanol;ethane

C21H38N2O2 — CID 91011302

IUPAC[4-(1-benzylpiperidin-4-yl)morpholin-2-yl]methanol;ethane
SMILESCC.CC.OCC1CN(C2CCN(Cc3ccccc3)CC2)CCO1
InChIInChI=1S/C17H26N2O2.2C2H6/c20-14-17-13-19(10-11-21-17)16-6-8-18(9-7-16)12-15-4-2-1-3-5-15;2*1-2/h1-5,16-17,20H,6-14H2;2*1-2H3
InChIKeyYGGULDFQZQZMIS-UHFFFAOYSA-N
MW350.55 g/mol
LogP3.40
Rot. Bonds4

About [4-(1-benzylpiperidin-4-yl)morpholin-2-yl]methanol;ethane

[4-(1-benzylpiperidin-4-yl)morpholin-2-yl]methanol;ethane (PubChem CID 91011302) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is [4-(1-benzylpiperidin-4-yl)morpholin-2-yl]methanol;ethane.

Molecular Properties

Compound Name[4-(1-benzylpiperidin-4-yl)morpholin-2-yl]methanol;ethane
PubChem CID91011302
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Name[4-(1-benzylpiperidin-4-yl)morpholin-2-yl]methanol;ethane
SMILESCC.CC.OCC1CN(C2CCN(Cc3ccccc3)CC2)CCO1
InChIInChI=1S/C17H26N2O2.2C2H6/c20-14-17-13-19(10-11-21-17)16-6-8-18(9-7-16)12-15-4-2-1-3-5-15;2*1-2/h1-5,16-17,20H,6-14H2;2*1-2H3
InChIKeyYGGULDFQZQZMIS-UHFFFAOYSA-N
XLogP3.40
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
(4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane
CID 66663131
(4-cyclopentylmorpholin-2-yl)methanol
CID 45098591
4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid
CID 17369370
[(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70708947
4-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(3-phenylpropyl)morpholine
CID 45247185
1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
CID 2846252
(4-cyclohexylmorpholin-2-yl)methanol
CID 83831638
[4-(1-methylazetidin-3-yl)morpholin-2-yl]methanol
CID 130138062
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 56752149
(2S)-4-cyclopentyl-2-(2-phenylethyl)morpholine
CID 25369976
(7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane
CID 156540563

Frequently Asked Questions

What is the IUPAC name of [4-(1-benzylpiperidin-4-yl)morpholin-2-yl]methanol;ethane?
The IUPAC name of [4-(1-benzylpiperidin-4-yl)morpholin-2-yl]methanol;ethane (CID 91011302) is [4-(1-benzylpiperidin-4-yl)morpholin-2-yl]methanol;ethane.
What is the SMILES notation for [4-(1-benzylpiperidin-4-yl)morpholin-2-yl]methanol;ethane?
The canonical SMILES for [4-(1-benzylpiperidin-4-yl)morpholin-2-yl]methanol;ethane is CC.CC.OCC1CN(C2CCN(Cc3ccccc3)CC2)CCO1.
What is the InChIKey of [4-(1-benzylpiperidin-4-yl)morpholin-2-yl]methanol;ethane?
The InChIKey is YGGULDFQZQZMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.2C2H6/c20-14-17-13-19(10-11-21-17)16-6-8-18(9-7-16)12-15-4-2-1-3-5-15;2*1-2/h1-5,16-17,20H,6-14H2;2*1-2H3.
What are the key properties of [4-(1-benzylpiperidin-4-yl)morpholin-2-yl]methanol;ethane?
[4-(1-benzylpiperidin-4-yl)morpholin-2-yl]methanol;ethane has a molecular weight of 350.55 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzylpiperidin-4-yl)morpholin-2-yl]methanol;ethane is sourced from PubChem (CID 91011302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).