1-(3-phenylpropyl)-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine

C27H33NOS — CID 10432227

IUPAC1-(3-phenylpropyl)-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine
SMILESc1ccc(CCCN2CCC(CCOC(c3ccccc3)c3cccs3)CC2)cc1
InChIInChI=1S/C27H33NOS/c1-3-9-23(10-4-1)11-7-18-28-19-15-24(16-20-28)17-21-29-27(26-14-8-22-30-26)25-12-5-2-6-13-25/h1-6,8-10,12-14,22,24,27H,7,11,15-21H2
InChIKeyUKJZZVOPNOUYAP-UHFFFAOYSA-N
MW419.63 g/mol
LogP6.59
Rot. Bonds10

About 1-(3-phenylpropyl)-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine

1-(3-phenylpropyl)-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine (PubChem CID 10432227) has the molecular formula C27H33NOS and a molecular weight of 419.63 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-(3-phenylpropyl)-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine
PubChem CID10432227
Molecular FormulaC27H33NOS
Molecular Weight419.63 g/mol
Exact Mass419.23
IUPAC Name1-(3-phenylpropyl)-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine
SMILESc1ccc(CCCN2CCC(CCOC(c3ccccc3)c3cccs3)CC2)cc1
InChIInChI=1S/C27H33NOS/c1-3-9-23(10-4-1)11-7-18-28-19-15-24(16-20-28)17-21-29-27(26-14-8-22-30-26)25-12-5-2-6-13-25/h1-6,8-10,12-14,22,24,27H,7,11,15-21H2
InChIKeyUKJZZVOPNOUYAP-UHFFFAOYSA-N
XLogP6.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.63
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Cyclohexylmethyl)-6'',7''-dihydrospiro[piperidine-4,4''-thieno[3,2-c]pyran]
CID 25167287
1-(4-Fluoro-benzyl)-4-[2-(phenyl-thiophen-2-yl-methoxy)-ethyl]-piperidine
CID 9978888
4-(2-benzhydryloxyethyl)-1-[(E)-3-thiophen-2-ylprop-2-enyl]piperidine
CID 10002055
4-(2-Benzhydryloxy-ethyl)-1-thiophen-2-ylmethyl-piperidine
CID 10500677
4-(2-Benzhydryloxy-ethyl)-1-benzo[b]thiophen-2-ylmethyl-piperidine
CID 10527139
1-Benzyl-4-[2-(phenyl-thiophen-2-yl-methoxy)-ethyl]-piperidine
CID 10691872
1-(2-Benzhydryloxy-ethyl)-4-(3-thiophen-2-yl-propyl)-piperazine
CID 10717041
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-((E)-3-thiophen-2-yl-allyl)-piperazine
CID 10742360
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-thiophen-2-yl-propyl)-piperazine
CID 10742465
1-(2-Benzhydryloxy-ethyl)-4-((E)-3-thiophen-2-yl-allyl)-piperazine
CID 10788184
4-{2-[(4-Fluoro-phenyl)-thiophen-2-yl-methoxy]-ethyl}-1-(3-phenyl-propyl)-piperidine
CID 10812888
4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-thiophen-2-yl-allyl)-piperidine
CID 11134191

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine?
The IUPAC name of 1-(3-phenylpropyl)-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine (CID 10432227) is 1-(3-phenylpropyl)-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine.
What is the SMILES notation for 1-(3-phenylpropyl)-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine?
The canonical SMILES for 1-(3-phenylpropyl)-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine is c1ccc(CCCN2CCC(CCOC(c3ccccc3)c3cccs3)CC2)cc1.
What is the InChIKey of 1-(3-phenylpropyl)-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine?
The InChIKey is UKJZZVOPNOUYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NOS/c1-3-9-23(10-4-1)11-7-18-28-19-15-24(16-20-28)17-21-29-27(26-14-8-22-30-26)25-12-5-2-6-13-25/h1-6,8-10,12-14,22,24,27H,7,11,15-21H2.
What are the key properties of 1-(3-phenylpropyl)-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine?
1-(3-phenylpropyl)-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine has a molecular weight of 419.63 g/mol, XLogP of 6.59, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-4-[2-[phenyl(thiophen-2-yl)methoxy]ethyl]piperidine is sourced from PubChem (CID 10432227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).