(3S,5R)-3-methyl-5-[4-[(2S)-pent-4-en-2-yl]cyclohexyl]oxypiperidine

C17H31NO — CID 143196218

IUPAC(3S,5R)-3-methyl-5-[4-[(2S)-pent-4-en-2-yl]cyclohexyl]oxypiperidine
SMILESC=CC[C@H](C)C1CCC(O[C@H]2CNC[C@@H](C)C2)CC1
InChIInChI=1S/C17H31NO/c1-4-5-14(3)15-6-8-16(9-7-15)19-17-10-13(2)11-18-12-17/h4,13-18H,1,5-12H2,2-3H3/t13-,14-,15?,16?,17+/m0/s1
InChIKeyFMLZFFAPQMFRKI-VAZJSPDQSA-N
MW265.44 g/mol
LogP3.77
Rot. Bonds5

About (3S,5R)-3-methyl-5-[4-[(2S)-pent-4-en-2-yl]cyclohexyl]oxypiperidine

(3S,5R)-3-methyl-5-[4-[(2S)-pent-4-en-2-yl]cyclohexyl]oxypiperidine (PubChem CID 143196218) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is (3S,5R)-3-methyl-5-[4-[(2S)-pent-4-en-2-yl]cyclohexyl]oxypiperidine.

Molecular Properties

Compound Name(3S,5R)-3-methyl-5-[4-[(2S)-pent-4-en-2-yl]cyclohexyl]oxypiperidine
PubChem CID143196218
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name(3S,5R)-3-methyl-5-[4-[(2S)-pent-4-en-2-yl]cyclohexyl]oxypiperidine
SMILESC=CC[C@H](C)C1CCC(O[C@H]2CNC[C@@H](C)C2)CC1
InChIInChI=1S/C17H31NO/c1-4-5-14(3)15-6-8-16(9-7-15)19-17-10-13(2)11-18-12-17/h4,13-18H,1,5-12H2,2-3H3/t13-,14-,15?,16?,17+/m0/s1
InChIKeyFMLZFFAPQMFRKI-VAZJSPDQSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-methyl-5-[4-[(2S)-pent-4-en-2-yl]cyclohexyl]oxypiperidine?
The IUPAC name of (3S,5R)-3-methyl-5-[4-[(2S)-pent-4-en-2-yl]cyclohexyl]oxypiperidine (CID 143196218) is (3S,5R)-3-methyl-5-[4-[(2S)-pent-4-en-2-yl]cyclohexyl]oxypiperidine.
What is the SMILES notation for (3S,5R)-3-methyl-5-[4-[(2S)-pent-4-en-2-yl]cyclohexyl]oxypiperidine?
The canonical SMILES for (3S,5R)-3-methyl-5-[4-[(2S)-pent-4-en-2-yl]cyclohexyl]oxypiperidine is C=CC[C@H](C)C1CCC(O[C@H]2CNC[C@@H](C)C2)CC1.
What is the InChIKey of (3S,5R)-3-methyl-5-[4-[(2S)-pent-4-en-2-yl]cyclohexyl]oxypiperidine?
The InChIKey is FMLZFFAPQMFRKI-VAZJSPDQSA-N. The full InChI is InChI=1S/C17H31NO/c1-4-5-14(3)15-6-8-16(9-7-15)19-17-10-13(2)11-18-12-17/h4,13-18H,1,5-12H2,2-3H3/t13-,14-,15?,16?,17+/m0/s1.
What are the key properties of (3S,5R)-3-methyl-5-[4-[(2S)-pent-4-en-2-yl]cyclohexyl]oxypiperidine?
(3S,5R)-3-methyl-5-[4-[(2S)-pent-4-en-2-yl]cyclohexyl]oxypiperidine has a molecular weight of 265.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-methyl-5-[4-[(2S)-pent-4-en-2-yl]cyclohexyl]oxypiperidine is sourced from PubChem (CID 143196218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).