(2R)-1-[2-[(2S)-butan-2-yl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol

C18H30NO2+ — CID 7025108

IUPAC(2R)-1-[2-[(2S)-butan-2-yl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol
SMILESCC[C@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCCCC1
InChIInChI=1S/C18H29NO2/c1-3-15(2)17-9-5-6-10-18(17)21-14-16(20)13-19-11-7-4-8-12-19/h5-6,9-10,15-16,20H,3-4,7-8,11-14H2,1-2H3/p+1/t15-,16+/m0/s1
InChIKeyGSORGCKTOGAQPD-JKSUJKDBSA-O
MW292.44 g/mol
LogP2.01
Rot. Bonds7

About (2R)-1-[2-[(2S)-butan-2-yl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol

(2R)-1-[2-[(2S)-butan-2-yl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol (PubChem CID 7025108) has the molecular formula C18H30NO2+ and a molecular weight of 292.44 g/mol. Its IUPAC name is (2R)-1-[2-[(2S)-butan-2-yl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-[(2S)-butan-2-yl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol
PubChem CID7025108
Molecular FormulaC18H30NO2+
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name(2R)-1-[2-[(2S)-butan-2-yl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol
SMILESCC[C@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCCCC1
InChIInChI=1S/C18H29NO2/c1-3-15(2)17-9-5-6-10-18(17)21-14-16(20)13-19-11-7-4-8-12-19/h5-6,9-10,15-16,20H,3-4,7-8,11-14H2,1-2H3/p+1/t15-,16+/m0/s1
InChIKeyGSORGCKTOGAQPD-JKSUJKDBSA-O
XLogP2.01
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-1-[2-[(2S)-butan-2-yl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-[(2R)-butan-2-yl]phenoxy]butyl]azepan-1-ium
CID 2194726
1-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]azepan-1-ium
CID 2194728
(2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol
CID 7385672
[(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium
CID 7187890
1-piperidin-1-ium-1-yl-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 4619097
[(2R)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-hydroxypropyl]-tert-butylazanium
CID 7025134
1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 5000223
(2S)-1-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 11918043
1-(4-ethylphenoxy)-3-piperidin-1-ium-1-ylpropan-2-ol
CID 4743198
(2S)-1-(4-benzylpiperazin-1-yl)-3-[2-[(2S)-butan-2-yl]phenoxy]propan-2-ol
CID 30687450
(2R)-1-(4-benzylpiperazin-1-yl)-3-[2-[(2R)-butan-2-yl]phenoxy]propan-2-ol
CID 30687421
1-(2-butan-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 16807023

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[(2S)-butan-2-yl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-[2-[(2S)-butan-2-yl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol (CID 7025108) is (2R)-1-[2-[(2S)-butan-2-yl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[2-[(2S)-butan-2-yl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[2-[(2S)-butan-2-yl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol is CC[C@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCCCC1.
What is the InChIKey of (2R)-1-[2-[(2S)-butan-2-yl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol?
The InChIKey is GSORGCKTOGAQPD-JKSUJKDBSA-O. The full InChI is InChI=1S/C18H29NO2/c1-3-15(2)17-9-5-6-10-18(17)21-14-16(20)13-19-11-7-4-8-12-19/h5-6,9-10,15-16,20H,3-4,7-8,11-14H2,1-2H3/p+1/t15-,16+/m0/s1.
What are the key properties of (2R)-1-[2-[(2S)-butan-2-yl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol?
(2R)-1-[2-[(2S)-butan-2-yl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol has a molecular weight of 292.44 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[(2S)-butan-2-yl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol is sourced from PubChem (CID 7025108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).