(2S)-1-butyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine

C18H29NO — CID 57340370

IUPAC(2S)-1-butyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine
SMILESCCCCN1CCCC[C@H]1[C@H](COC)c1ccccc1
InChIInChI=1S/C18H29NO/c1-3-4-13-19-14-9-8-12-18(19)17(15-20-2)16-10-6-5-7-11-16/h5-7,10-11,17-18H,3-4,8-9,12-15H2,1-2H3/t17-,18+/m1/s1
InChIKeyRZWJKCPHORMYPO-MSOLQXFVSA-N
MW275.44 g/mol
LogP4.07
Rot. Bonds7

About (2S)-1-butyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine

(2S)-1-butyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine (PubChem CID 57340370) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (2S)-1-butyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine.

Molecular Properties

Compound Name(2S)-1-butyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine
PubChem CID57340370
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(2S)-1-butyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine
SMILESCCCCN1CCCC[C@H]1[C@H](COC)c1ccccc1
InChIInChI=1S/C18H29NO/c1-3-4-13-19-14-9-8-12-18(19)17(15-20-2)16-10-6-5-7-11-16/h5-7,10-11,17-18H,3-4,8-9,12-15H2,1-2H3/t17-,18+/m1/s1
InChIKeyRZWJKCPHORMYPO-MSOLQXFVSA-N
XLogP4.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-butyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine?
The IUPAC name of (2S)-1-butyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine (CID 57340370) is (2S)-1-butyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine.
What is the SMILES notation for (2S)-1-butyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine?
The canonical SMILES for (2S)-1-butyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine is CCCCN1CCCC[C@H]1[C@H](COC)c1ccccc1.
What is the InChIKey of (2S)-1-butyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine?
The InChIKey is RZWJKCPHORMYPO-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-4-13-19-14-9-8-12-18(19)17(15-20-2)16-10-6-5-7-11-16/h5-7,10-11,17-18H,3-4,8-9,12-15H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of (2S)-1-butyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine?
(2S)-1-butyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine has a molecular weight of 275.44 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-butyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine is sourced from PubChem (CID 57340370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).