(2R,5R)-5-ethyl-2-methyl-4-methylidenepiperidine

C9H17N — CID 170405834

IUPAC(2R,5R)-5-ethyl-2-methyl-4-methylidenepiperidine
SMILESC=C1C[C@@H](C)NC[C@@H]1CC
InChIInChI=1S/C9H17N/c1-4-9-6-10-8(3)5-7(9)2/h8-10H,2,4-6H2,1,3H3/t8-,9+/m1/s1
InChIKeyBGIOIULXIITNAF-BDAKNGLRSA-N
MW139.24 g/mol
LogP1.95
Rot. Bonds1

About (2R,5R)-5-ethyl-2-methyl-4-methylidenepiperidine

(2R,5R)-5-ethyl-2-methyl-4-methylidenepiperidine (PubChem CID 170405834) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2R,5R)-5-ethyl-2-methyl-4-methylidenepiperidine.

Molecular Properties

Compound Name(2R,5R)-5-ethyl-2-methyl-4-methylidenepiperidine
PubChem CID170405834
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2R,5R)-5-ethyl-2-methyl-4-methylidenepiperidine
SMILESC=C1C[C@@H](C)NC[C@@H]1CC
InChIInChI=1S/C9H17N/c1-4-9-6-10-8(3)5-7(9)2/h8-10H,2,4-6H2,1,3H3/t8-,9+/m1/s1
InChIKeyBGIOIULXIITNAF-BDAKNGLRSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 1272143
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CID 1526087
2-(Prop-1-en-2-yl)piperidine
CID 53427466
(2S)-2-prop-1-en-2-ylpiperidine
CID 55299750
N,4,5,6-tetramethylhept-6-en-1-amine
CID 129141764
2-[5-(Trifluoromethyl)hept-1-en-2-yl]piperidine
CID 70329148
(3R)-3-fluoro-3-prop-1-en-2-ylpiperidine
CID 154956018
(3S)-3-(fluoromethyl)-5-prop-1-en-2-ylpiperidine
CID 155399388
2,5-dimethyl-N-propylhex-5-en-3-amine
CID 79179359
5-Diisopropenylpiperidine
CID 129879102
(2R,3S,5S,6R)-2-deca-3,4,9-trienyl-3,5-dimethyl-6-(2-methylprop-2-enyl)piperidine
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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-ethyl-2-methyl-4-methylidenepiperidine?
The IUPAC name of (2R,5R)-5-ethyl-2-methyl-4-methylidenepiperidine (CID 170405834) is (2R,5R)-5-ethyl-2-methyl-4-methylidenepiperidine.
What is the SMILES notation for (2R,5R)-5-ethyl-2-methyl-4-methylidenepiperidine?
The canonical SMILES for (2R,5R)-5-ethyl-2-methyl-4-methylidenepiperidine is C=C1C[C@@H](C)NC[C@@H]1CC.
What is the InChIKey of (2R,5R)-5-ethyl-2-methyl-4-methylidenepiperidine?
The InChIKey is BGIOIULXIITNAF-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H17N/c1-4-9-6-10-8(3)5-7(9)2/h8-10H,2,4-6H2,1,3H3/t8-,9+/m1/s1.
What are the key properties of (2R,5R)-5-ethyl-2-methyl-4-methylidenepiperidine?
(2R,5R)-5-ethyl-2-methyl-4-methylidenepiperidine has a molecular weight of 139.24 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-ethyl-2-methyl-4-methylidenepiperidine is sourced from PubChem (CID 170405834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).