(3R,4R)-4-ethoxy-1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-ol

C19H30N2O2 — CID 133267131

IUPAC(3R,4R)-4-ethoxy-1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-ol
SMILESCCO[C@@H]1CN(C2CCN(CCc3ccccc3)CC2)C[C@H]1O
InChIInChI=1S/C19H30N2O2/c1-2-23-19-15-21(14-18(19)22)17-9-12-20(13-10-17)11-8-16-6-4-3-5-7-16/h3-7,17-19,22H,2,8-15H2,1H3/t18-,19-/m1/s1
InChIKeyZKFXOUHOIUCENW-RTBURBONSA-N
MW318.46 g/mol
LogP1.78
Rot. Bonds6

About (3R,4R)-4-ethoxy-1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-ol

(3R,4R)-4-ethoxy-1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-ol (PubChem CID 133267131) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (3R,4R)-4-ethoxy-1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-ethoxy-1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-ol
PubChem CID133267131
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(3R,4R)-4-ethoxy-1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-ol
SMILESCCO[C@@H]1CN(C2CCN(CCc3ccccc3)CC2)C[C@H]1O
InChIInChI=1S/C19H30N2O2/c1-2-23-19-15-21(14-18(19)22)17-9-12-20(13-10-17)11-8-16-6-4-3-5-7-16/h3-7,17-19,22H,2,8-15H2,1H3/t18-,19-/m1/s1
InChIKeyZKFXOUHOIUCENW-RTBURBONSA-N
XLogP1.78
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-(1-benzylpiperidin-4-yl)-4-ethoxypyrrolidin-3-ol
CID 91786054
(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol
CID 7047301
(3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine
CID 7047234
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
2-[(2R)-4-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98597593
(3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26458414
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
methyl 2-[[1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carbonyl]amino]acetate
CID 45240399
N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45173463
(4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95554424
1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
CID 91066531
(4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 26329649

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-ethoxy-1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-ethoxy-1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-ol (CID 133267131) is (3R,4R)-4-ethoxy-1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-ethoxy-1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-ethoxy-1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-ol is CCO[C@@H]1CN(C2CCN(CCc3ccccc3)CC2)C[C@H]1O.
What is the InChIKey of (3R,4R)-4-ethoxy-1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-ol?
The InChIKey is ZKFXOUHOIUCENW-RTBURBONSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-2-23-19-15-21(14-18(19)22)17-9-12-20(13-10-17)11-8-16-6-4-3-5-7-16/h3-7,17-19,22H,2,8-15H2,1H3/t18-,19-/m1/s1.
What are the key properties of (3R,4R)-4-ethoxy-1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-ol?
(3R,4R)-4-ethoxy-1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-ol has a molecular weight of 318.46 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-ethoxy-1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 133267131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).