(4R)-4-(4-chlorocyclohexa-1,3-dien-1-yl)-1,3,3,4-tetramethylpiperidine

C15H24ClN — CID 118964520

IUPAC(4R)-4-(4-chlorocyclohexa-1,3-dien-1-yl)-1,3,3,4-tetramethylpiperidine
SMILESCN1CC[C@](C)(C2=CC=C(Cl)CC2)C(C)(C)C1
InChIInChI=1S/C15H24ClN/c1-14(2)11-17(4)10-9-15(14,3)12-5-7-13(16)8-6-12/h5,7H,6,8-11H2,1-4H3/t15-/m1/s1
InChIKeyRXWLFCKGRWAZLM-OAHLLOKOSA-N
MW253.82 g/mol
LogP4.20
Rot. Bonds1

About (4R)-4-(4-chlorocyclohexa-1,3-dien-1-yl)-1,3,3,4-tetramethylpiperidine

(4R)-4-(4-chlorocyclohexa-1,3-dien-1-yl)-1,3,3,4-tetramethylpiperidine (PubChem CID 118964520) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is (4R)-4-(4-chlorocyclohexa-1,3-dien-1-yl)-1,3,3,4-tetramethylpiperidine.

Molecular Properties

Compound Name(4R)-4-(4-chlorocyclohexa-1,3-dien-1-yl)-1,3,3,4-tetramethylpiperidine
PubChem CID118964520
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name(4R)-4-(4-chlorocyclohexa-1,3-dien-1-yl)-1,3,3,4-tetramethylpiperidine
SMILESCN1CC[C@](C)(C2=CC=C(Cl)CC2)C(C)(C)C1
InChIInChI=1S/C15H24ClN/c1-14(2)11-17(4)10-9-15(14,3)12-5-7-13(16)8-6-12/h5,7H,6,8-11H2,1-4H3/t15-/m1/s1
InChIKeyRXWLFCKGRWAZLM-OAHLLOKOSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-chlorocyclohexa-1,3-dien-1-yl)-1,3,3,4-tetramethylpiperidine?
The IUPAC name of (4R)-4-(4-chlorocyclohexa-1,3-dien-1-yl)-1,3,3,4-tetramethylpiperidine (CID 118964520) is (4R)-4-(4-chlorocyclohexa-1,3-dien-1-yl)-1,3,3,4-tetramethylpiperidine.
What is the SMILES notation for (4R)-4-(4-chlorocyclohexa-1,3-dien-1-yl)-1,3,3,4-tetramethylpiperidine?
The canonical SMILES for (4R)-4-(4-chlorocyclohexa-1,3-dien-1-yl)-1,3,3,4-tetramethylpiperidine is CN1CC[C@](C)(C2=CC=C(Cl)CC2)C(C)(C)C1.
What is the InChIKey of (4R)-4-(4-chlorocyclohexa-1,3-dien-1-yl)-1,3,3,4-tetramethylpiperidine?
The InChIKey is RXWLFCKGRWAZLM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24ClN/c1-14(2)11-17(4)10-9-15(14,3)12-5-7-13(16)8-6-12/h5,7H,6,8-11H2,1-4H3/t15-/m1/s1.
What are the key properties of (4R)-4-(4-chlorocyclohexa-1,3-dien-1-yl)-1,3,3,4-tetramethylpiperidine?
(4R)-4-(4-chlorocyclohexa-1,3-dien-1-yl)-1,3,3,4-tetramethylpiperidine has a molecular weight of 253.82 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-chlorocyclohexa-1,3-dien-1-yl)-1,3,3,4-tetramethylpiperidine is sourced from PubChem (CID 118964520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).