(3S)-3-(3-chloro-2-methylprop-2-enoxy)piperidine

C9H16ClNO — CID 106439132

IUPAC(3S)-3-(3-chloro-2-methylprop-2-enoxy)piperidine
SMILESCC(=CCl)CO[C@H]1CCCNC1
InChIInChI=1S/C9H16ClNO/c1-8(5-10)7-12-9-3-2-4-11-6-9/h5,9,11H,2-4,6-7H2,1H3/t9-/m0/s1
InChIKeyCKXDBZKGVYUGOZ-VIFPVBQESA-N
MW189.69 g/mol
LogP1.90
Rot. Bonds3

About (3S)-3-(3-chloro-2-methylprop-2-enoxy)piperidine

(3S)-3-(3-chloro-2-methylprop-2-enoxy)piperidine (PubChem CID 106439132) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is (3S)-3-(3-chloro-2-methylprop-2-enoxy)piperidine.

Molecular Properties

Compound Name(3S)-3-(3-chloro-2-methylprop-2-enoxy)piperidine
PubChem CID106439132
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name(3S)-3-(3-chloro-2-methylprop-2-enoxy)piperidine
SMILESCC(=CCl)CO[C@H]1CCCNC1
InChIInChI=1S/C9H16ClNO/c1-8(5-10)7-12-9-3-2-4-11-6-9/h5,9,11H,2-4,6-7H2,1H3/t9-/m0/s1
InChIKeyCKXDBZKGVYUGOZ-VIFPVBQESA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-chloro-2-methylprop-2-enoxy)piperidine?
The IUPAC name of (3S)-3-(3-chloro-2-methylprop-2-enoxy)piperidine (CID 106439132) is (3S)-3-(3-chloro-2-methylprop-2-enoxy)piperidine.
What is the SMILES notation for (3S)-3-(3-chloro-2-methylprop-2-enoxy)piperidine?
The canonical SMILES for (3S)-3-(3-chloro-2-methylprop-2-enoxy)piperidine is CC(=CCl)CO[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-(3-chloro-2-methylprop-2-enoxy)piperidine?
The InChIKey is CKXDBZKGVYUGOZ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16ClNO/c1-8(5-10)7-12-9-3-2-4-11-6-9/h5,9,11H,2-4,6-7H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-3-(3-chloro-2-methylprop-2-enoxy)piperidine?
(3S)-3-(3-chloro-2-methylprop-2-enoxy)piperidine has a molecular weight of 189.69 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-chloro-2-methylprop-2-enoxy)piperidine is sourced from PubChem (CID 106439132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).