1-(3-methylphenoxy)-3-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol

C19H30N2O2 — CID 110898554

IUPAC1-(3-methylphenoxy)-3-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
SMILESCc1cccc(OCC(O)CN2CCCC(N3CCCC3)C2)c1
InChIInChI=1S/C19H30N2O2/c1-16-6-4-8-19(12-16)23-15-18(22)14-20-9-5-7-17(13-20)21-10-2-3-11-21/h4,6,8,12,17-18,22H,2-3,5,7,9-11,13-15H2,1H3
InChIKeyWWQKPENVOPAMLV-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.29
Rot. Bonds6

About 1-(3-methylphenoxy)-3-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol

1-(3-methylphenoxy)-3-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol (PubChem CID 110898554) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-(3-methylphenoxy)-3-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-methylphenoxy)-3-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
PubChem CID110898554
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-(3-methylphenoxy)-3-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
SMILESCc1cccc(OCC(O)CN2CCCC(N3CCCC3)C2)c1
InChIInChI=1S/C19H30N2O2/c1-16-6-4-8-19(12-16)23-15-18(22)14-20-9-5-7-17(13-20)21-10-2-3-11-21/h4,6,8,12,17-18,22H,2-3,5,7,9-11,13-15H2,1H3
InChIKeyWWQKPENVOPAMLV-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(azepan-1-yl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111108788
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
2-[2-(3-methylphenoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49235633
(2R)-1-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 97005567
ethyl 1-[2-hydroxy-3-(3-methylphenoxy)propyl]pyrrolidine-3-carboxylate
CID 166256415
(2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol
CID 95067056
1-[3-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 3133154
1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 3095128
(2S)-1-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 124738429
(2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol
CID 161303338
1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol
CID 4728819
ethyl 3-[2-hydroxy-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propoxy]benzoate
CID 87014382

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)-3-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(3-methylphenoxy)-3-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol (CID 110898554) is 1-(3-methylphenoxy)-3-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3-methylphenoxy)-3-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(3-methylphenoxy)-3-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol is Cc1cccc(OCC(O)CN2CCCC(N3CCCC3)C2)c1.
What is the InChIKey of 1-(3-methylphenoxy)-3-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol?
The InChIKey is WWQKPENVOPAMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-16-6-4-8-19(12-16)23-15-18(22)14-20-9-5-7-17(13-20)21-10-2-3-11-21/h4,6,8,12,17-18,22H,2-3,5,7,9-11,13-15H2,1H3.
What are the key properties of 1-(3-methylphenoxy)-3-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol?
1-(3-methylphenoxy)-3-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol has a molecular weight of 318.46 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)-3-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 110898554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).