(5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine

C19H31NO — CID 58747936

IUPAC(5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine
SMILESCC1C[C@@H](C)CN(CCCOCCCc2ccccc2)C1
InChIInChI=1S/C19H31NO/c1-17-14-18(2)16-20(15-17)11-7-13-21-12-6-10-19-8-4-3-5-9-19/h3-5,8-9,17-18H,6-7,10-16H2,1-2H3/t17-,18?/m1/s1
InChIKeyBGWOBYZNNWJYTG-QNSVNVJESA-N
MW289.46 g/mol
LogP4.00
Rot. Bonds8

About (5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine

(5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine (PubChem CID 58747936) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is (5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine.

Molecular Properties

Compound Name(5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine
PubChem CID58747936
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name(5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine
SMILESCC1C[C@@H](C)CN(CCCOCCCc2ccccc2)C1
InChIInChI=1S/C19H31NO/c1-17-14-18(2)16-20(15-17)11-7-13-21-12-6-10-19-8-4-3-5-9-19/h3-5,8-9,17-18H,6-7,10-16H2,1-2H3/t17-,18?/m1/s1
InChIKeyBGWOBYZNNWJYTG-QNSVNVJESA-N
XLogP4.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S,5S)-1-[3-[3-(4-chlorophenyl)propoxy]propyl]-3,5-dimethylpiperidine
CID 66702546
3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine
CID 23150265
2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline
CID 43174256
4-[4-(3,5-dimethylpiperidin-1-yl)butyl]phenol
CID 82188002
1-[3-(4-phenylbutoxy)propyl]piperidin-4-amine
CID 141012583
1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine
CID 141012569
[3-[3-[3-(3-methylpiperidin-1-yl)propoxy]propyl]phenyl]methanamine
CID 142385955
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine
CID 11947991
1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine
CID 2934051
2-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propoxy]benzoic acid
CID 26582010
(3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
CID 2300152

Frequently Asked Questions

What is the IUPAC name of (5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine?
The IUPAC name of (5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine (CID 58747936) is (5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine.
What is the SMILES notation for (5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine?
The canonical SMILES for (5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine is CC1C[C@@H](C)CN(CCCOCCCc2ccccc2)C1.
What is the InChIKey of (5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine?
The InChIKey is BGWOBYZNNWJYTG-QNSVNVJESA-N. The full InChI is InChI=1S/C19H31NO/c1-17-14-18(2)16-20(15-17)11-7-13-21-12-6-10-19-8-4-3-5-9-19/h3-5,8-9,17-18H,6-7,10-16H2,1-2H3/t17-,18?/m1/s1.
What are the key properties of (5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine?
(5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine has a molecular weight of 289.46 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine is sourced from PubChem (CID 58747936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).