(3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine

C16H25NO — CID 143447260

IUPAC(3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine
SMILESCCCOc1cccc(C2CCN(C)C[C@@H]2C)c1
InChIInChI=1S/C16H25NO/c1-4-10-18-15-7-5-6-14(11-15)16-8-9-17(3)12-13(16)2/h5-7,11,13,16H,4,8-10,12H2,1-3H3/t13-,16?/m0/s1
InChIKeyHQCDKUGBQLVELG-KNVGNIICSA-N
MW247.38 g/mol
LogP3.53
Rot. Bonds4

About (3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine

(3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine (PubChem CID 143447260) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine.

Molecular Properties

Compound Name(3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine
PubChem CID143447260
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine
SMILESCCCOc1cccc(C2CCN(C)C[C@@H]2C)c1
InChIInChI=1S/C16H25NO/c1-4-10-18-15-7-5-6-14(11-15)16-8-9-17(3)12-13(16)2/h5-7,11,13,16H,4,8-10,12H2,1-3H3/t13-,16?/m0/s1
InChIKeyHQCDKUGBQLVELG-KNVGNIICSA-N
XLogP3.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine
CID 115032201
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CID 115032728
3-[3-(1-methylpyrrolidin-3-yl)phenoxy]propan-1-amine
CID 115040370
1-[2-(chloromethyl)cyclopropyl]-3-propoxybenzene
CID 81358665
N-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine
CID 62704932
(3R,4S)-4-(3-ethoxyphenyl)-1-methylpyrrolidin-3-amine
CID 99986785
1-(1,4-dimethylpiperazin-2-yl)-N-[(3-propoxyphenyl)methyl]methanamine
CID 63897239
trans-(1S,2R)-2-(3-butoxyphenyl)cyclohexan-1-ol
CID 57202652
(2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine
CID 7394222
2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60957544
(3-propoxyphenoxy)methylcyclooctane
CID 69097441
1-ethyl-4-[2-(3-propoxyphenoxy)ethyl]piperazine
CID 2215919

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine?
The IUPAC name of (3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine (CID 143447260) is (3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine.
What is the SMILES notation for (3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine?
The canonical SMILES for (3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine is CCCOc1cccc(C2CCN(C)C[C@@H]2C)c1.
What is the InChIKey of (3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine?
The InChIKey is HQCDKUGBQLVELG-KNVGNIICSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-10-18-15-7-5-6-14(11-15)16-8-9-17(3)12-13(16)2/h5-7,11,13,16H,4,8-10,12H2,1-3H3/t13-,16?/m0/s1.
What are the key properties of (3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine?
(3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine is sourced from PubChem (CID 143447260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).