cyclopropyl-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]methanone

C20H30N2O3 — CID 2535934

IUPACcyclopropyl-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]methanone
SMILESCC(C)c1ccccc1OC[C@@H](O)CN1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C20H30N2O3/c1-15(2)18-5-3-4-6-19(18)25-14-17(23)13-21-9-11-22(12-10-21)20(24)16-7-8-16/h3-6,15-17,23H,7-14H2,1-2H3/t17-/m0/s1
InChIKeySVFPVENCWYZMIA-KRWDZBQOSA-N
MW346.47 g/mol
LogP2.10
Rot. Bonds7

About cyclopropyl-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]methanone

cyclopropyl-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]methanone (PubChem CID 2535934) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is cyclopropyl-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]methanone
PubChem CID2535934
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Namecyclopropyl-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]methanone
SMILESCC(C)c1ccccc1OC[C@@H](O)CN1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C20H30N2O3/c1-15(2)18-5-3-4-6-19(18)25-14-17(23)13-21-9-11-22(12-10-21)20(24)16-7-8-16/h3-6,15-17,23H,7-14H2,1-2H3/t17-/m0/s1
InChIKeySVFPVENCWYZMIA-KRWDZBQOSA-N
XLogP2.10
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3488317
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 110898165
1-(2-propan-2-ylphenoxy)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
CID 110898544
(3R)-1-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperidine-3-carboxamide
CID 25351484
cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone
CID 95934856
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 93020853
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4877000
cyclopropyl-[4-[(2S)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 52533613
ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperidine-3-carboxylate
CID 51680135
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 110882103
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4880725
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 7125674

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]methanone (CID 2535934) is cyclopropyl-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]methanone is CC(C)c1ccccc1OC[C@@H](O)CN1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]methanone?
The InChIKey is SVFPVENCWYZMIA-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(2)18-5-3-4-6-19(18)25-14-17(23)13-21-9-11-22(12-10-21)20(24)16-7-8-16/h3-6,15-17,23H,7-14H2,1-2H3/t17-/m0/s1.
What are the key properties of cyclopropyl-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]methanone has a molecular weight of 346.47 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 2535934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).