(3S)-3-(3-chloroprop-2-enoxy)piperidine

C8H14ClNO — CID 79027259

IUPAC(3S)-3-(3-chloroprop-2-enoxy)piperidine
SMILESClC=CCO[C@H]1CCCNC1
InChIInChI=1S/C8H14ClNO/c9-4-2-6-11-8-3-1-5-10-7-8/h2,4,8,10H,1,3,5-7H2/t8-/m0/s1
InChIKeyLBMANKVZQUMXEO-QMMMGPOBSA-N
MW175.66 g/mol
LogP1.51
Rot. Bonds3

About (3S)-3-(3-chloroprop-2-enoxy)piperidine

(3S)-3-(3-chloroprop-2-enoxy)piperidine (PubChem CID 79027259) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is (3S)-3-(3-chloroprop-2-enoxy)piperidine.

Molecular Properties

Compound Name(3S)-3-(3-chloroprop-2-enoxy)piperidine
PubChem CID79027259
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name(3S)-3-(3-chloroprop-2-enoxy)piperidine
SMILESClC=CCO[C@H]1CCCNC1
InChIInChI=1S/C8H14ClNO/c9-4-2-6-11-8-3-1-5-10-7-8/h2,4,8,10H,1,3,5-7H2/t8-/m0/s1
InChIKeyLBMANKVZQUMXEO-QMMMGPOBSA-N
XLogP1.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-chloroprop-2-enoxy)piperidine?
The IUPAC name of (3S)-3-(3-chloroprop-2-enoxy)piperidine (CID 79027259) is (3S)-3-(3-chloroprop-2-enoxy)piperidine.
What is the SMILES notation for (3S)-3-(3-chloroprop-2-enoxy)piperidine?
The canonical SMILES for (3S)-3-(3-chloroprop-2-enoxy)piperidine is ClC=CCO[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-(3-chloroprop-2-enoxy)piperidine?
The InChIKey is LBMANKVZQUMXEO-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14ClNO/c9-4-2-6-11-8-3-1-5-10-7-8/h2,4,8,10H,1,3,5-7H2/t8-/m0/s1.
What are the key properties of (3S)-3-(3-chloroprop-2-enoxy)piperidine?
(3S)-3-(3-chloroprop-2-enoxy)piperidine has a molecular weight of 175.66 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-chloroprop-2-enoxy)piperidine is sourced from PubChem (CID 79027259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).