(3S)-3-(2-pent-4-enoxyethyl)piperidine

C12H23NO — CID 86320710

IUPAC(3S)-3-(2-pent-4-enoxyethyl)piperidine
SMILESC=CCCCOCC[C@@H]1CCCNC1
InChIInChI=1S/C12H23NO/c1-2-3-4-9-14-10-7-12-6-5-8-13-11-12/h2,12-13H,1,3-11H2/t12-/m0/s1
InChIKeySJMDESICAXTNHZ-LBPRGKRZSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds7

About (3S)-3-(2-pent-4-enoxyethyl)piperidine

(3S)-3-(2-pent-4-enoxyethyl)piperidine (PubChem CID 86320710) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (3S)-3-(2-pent-4-enoxyethyl)piperidine.

Molecular Properties

Compound Name(3S)-3-(2-pent-4-enoxyethyl)piperidine
PubChem CID86320710
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(3S)-3-(2-pent-4-enoxyethyl)piperidine
SMILESC=CCCCOCC[C@@H]1CCCNC1
InChIInChI=1S/C12H23NO/c1-2-3-4-9-14-10-7-12-6-5-8-13-11-12/h2,12-13H,1,3-11H2/t12-/m0/s1
InChIKeySJMDESICAXTNHZ-LBPRGKRZSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(oxan-4-ylmethyl)but-3-en-1-amine
CID 64313531
2-Hept-1-en-3-ylmorpholine
CID 68588233
2-Hex-1-en-3-ylmorpholine
CID 68590103
(3R)-3-(2-methoxyprop-2-enyl)piperidine
CID 90065330
4-But-3-enyl-4-(3-methylbutan-2-yloxy)piperidine
CID 91487037
N-[3-(piperidin-4-ylmethoxy)propyl]but-3-en-1-amine
CID 141050459
2-(Piperidin-4-ylmethyl)but-3-en-1-ol
CID 142260790
4-(1-Dec-9-enoxyethyl)piperidine
CID 144226401
N-(oxan-4-ylmethyl)hex-5-en-1-amine
CID 170016283
4-(3,4-dihydro-2H-pyran-3-yl)piperidine
CID 174737485
3-But-3-enyl-4-methoxypiperidine
CID 175499377
3-[(4-Pentenyloxy)methyl]piperidine hydrochloride
CID 53409456

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-pent-4-enoxyethyl)piperidine?
The IUPAC name of (3S)-3-(2-pent-4-enoxyethyl)piperidine (CID 86320710) is (3S)-3-(2-pent-4-enoxyethyl)piperidine.
What is the SMILES notation for (3S)-3-(2-pent-4-enoxyethyl)piperidine?
The canonical SMILES for (3S)-3-(2-pent-4-enoxyethyl)piperidine is C=CCCCOCC[C@@H]1CCCNC1.
What is the InChIKey of (3S)-3-(2-pent-4-enoxyethyl)piperidine?
The InChIKey is SJMDESICAXTNHZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-4-9-14-10-7-12-6-5-8-13-11-12/h2,12-13H,1,3-11H2/t12-/m0/s1.
What are the key properties of (3S)-3-(2-pent-4-enoxyethyl)piperidine?
(3S)-3-(2-pent-4-enoxyethyl)piperidine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-pent-4-enoxyethyl)piperidine is sourced from PubChem (CID 86320710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).