(2R)-2-(cyclopropylmethoxy)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one

C19H28N2O3 — CID 95601906

IUPAC(2R)-2-(cyclopropylmethoxy)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one
SMILESC[C@@H](OCC1CC1)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C19H28N2O3/c1-15(24-14-16-7-8-16)19(23)21-11-9-20(10-12-21)13-18(22)17-5-3-2-4-6-17/h2-6,15-16,18,22H,7-14H2,1H3/t15-,18+/m1/s1
InChIKeyWSYSVYWAPYXVQI-QAPCUYQASA-N
MW332.44 g/mol
LogP1.68
Rot. Bonds7

About (2R)-2-(cyclopropylmethoxy)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one

(2R)-2-(cyclopropylmethoxy)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one (PubChem CID 95601906) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2R)-2-(cyclopropylmethoxy)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(cyclopropylmethoxy)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one
PubChem CID95601906
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2R)-2-(cyclopropylmethoxy)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one
SMILESC[C@@H](OCC1CC1)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C19H28N2O3/c1-15(24-14-16-7-8-16)19(23)21-11-9-20(10-12-21)13-18(22)17-5-3-2-4-6-17/h2-6,15-16,18,22H,7-14H2,1H3/t15-,18+/m1/s1
InChIKeyWSYSVYWAPYXVQI-QAPCUYQASA-N
XLogP1.68
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(cyclopropylmethoxy)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

(2S)-2-(cyclopropylmethoxy)-1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one
CID 95601907
(2S)-1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-prop-2-enoxypropan-1-one
CID 95601915
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-prop-2-enoxypropan-1-one
CID 95601912
2-(cyclopropylmethoxy)-1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-1-one
CID 56802515
(2R)-2-ethoxy-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]butan-1-one
CID 95347642
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-methylbutane-1,2-dione
CID 124744287
ethyl 4-(2-hydroxy-2-phenylethyl)piperazine-1-carboxylate
CID 3269514
ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
CID 2106477
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 111105254
(2S)-1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 95601884
(2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-phenylazetidin-1-yl]propan-1-one
CID 95325747
methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate
CID 60632376

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopropylmethoxy)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(cyclopropylmethoxy)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one (CID 95601906) is (2R)-2-(cyclopropylmethoxy)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(cyclopropylmethoxy)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(cyclopropylmethoxy)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one is C[C@@H](OCC1CC1)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1.
What is the InChIKey of (2R)-2-(cyclopropylmethoxy)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one?
The InChIKey is WSYSVYWAPYXVQI-QAPCUYQASA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15(24-14-16-7-8-16)19(23)21-11-9-20(10-12-21)13-18(22)17-5-3-2-4-6-17/h2-6,15-16,18,22H,7-14H2,1H3/t15-,18+/m1/s1.
What are the key properties of (2R)-2-(cyclopropylmethoxy)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one?
(2R)-2-(cyclopropylmethoxy)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one has a molecular weight of 332.44 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopropylmethoxy)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 95601906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).