(4R)-1-[(3R)-3,4-dimethylpent-1-en-2-yl]-3,3,4-trimethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperidine

C22H37N — CID 118964576

IUPAC(4R)-1-[(3R)-3,4-dimethylpent-1-en-2-yl]-3,3,4-trimethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperidine
SMILESC=C([C@H](C)C(C)C)N1CC[C@](C)(C2=CC=C(C)CC2)C(C)(C)C1
InChIInChI=1S/C22H37N/c1-16(2)18(4)19(5)23-14-13-22(8,21(6,7)15-23)20-11-9-17(3)10-12-20/h9,11,16,18H,5,10,12-15H2,1-4,6-8H3/t18-,22-/m1/s1
InChIKeyXUKQBWMWFOYLOA-XMSQKQJNSA-N
MW315.55 g/mol
LogP6.20
Rot. Bonds4

About (4R)-1-[(3R)-3,4-dimethylpent-1-en-2-yl]-3,3,4-trimethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperidine

(4R)-1-[(3R)-3,4-dimethylpent-1-en-2-yl]-3,3,4-trimethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperidine (PubChem CID 118964576) has the molecular formula C22H37N and a molecular weight of 315.55 g/mol. Its IUPAC name is (4R)-1-[(3R)-3,4-dimethylpent-1-en-2-yl]-3,3,4-trimethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperidine.

Molecular Properties

Compound Name(4R)-1-[(3R)-3,4-dimethylpent-1-en-2-yl]-3,3,4-trimethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperidine
PubChem CID118964576
Molecular FormulaC22H37N
Molecular Weight315.55 g/mol
Exact Mass315.29
IUPAC Name(4R)-1-[(3R)-3,4-dimethylpent-1-en-2-yl]-3,3,4-trimethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperidine
SMILESC=C([C@H](C)C(C)C)N1CC[C@](C)(C2=CC=C(C)CC2)C(C)(C)C1
InChIInChI=1S/C22H37N/c1-16(2)18(4)19(5)23-14-13-22(8,21(6,7)15-23)20-11-9-17(3)10-12-20/h9,11,16,18H,5,10,12-15H2,1-4,6-8H3/t18-,22-/m1/s1
InChIKeyXUKQBWMWFOYLOA-XMSQKQJNSA-N
XLogP6.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.55
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(3R)-3,4-dimethylpent-1-en-2-yl]-3,3,4-trimethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperidine?
The IUPAC name of (4R)-1-[(3R)-3,4-dimethylpent-1-en-2-yl]-3,3,4-trimethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperidine (CID 118964576) is (4R)-1-[(3R)-3,4-dimethylpent-1-en-2-yl]-3,3,4-trimethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperidine.
What is the SMILES notation for (4R)-1-[(3R)-3,4-dimethylpent-1-en-2-yl]-3,3,4-trimethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperidine?
The canonical SMILES for (4R)-1-[(3R)-3,4-dimethylpent-1-en-2-yl]-3,3,4-trimethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperidine is C=C([C@H](C)C(C)C)N1CC[C@](C)(C2=CC=C(C)CC2)C(C)(C)C1.
What is the InChIKey of (4R)-1-[(3R)-3,4-dimethylpent-1-en-2-yl]-3,3,4-trimethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperidine?
The InChIKey is XUKQBWMWFOYLOA-XMSQKQJNSA-N. The full InChI is InChI=1S/C22H37N/c1-16(2)18(4)19(5)23-14-13-22(8,21(6,7)15-23)20-11-9-17(3)10-12-20/h9,11,16,18H,5,10,12-15H2,1-4,6-8H3/t18-,22-/m1/s1.
What are the key properties of (4R)-1-[(3R)-3,4-dimethylpent-1-en-2-yl]-3,3,4-trimethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperidine?
(4R)-1-[(3R)-3,4-dimethylpent-1-en-2-yl]-3,3,4-trimethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperidine has a molecular weight of 315.55 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(3R)-3,4-dimethylpent-1-en-2-yl]-3,3,4-trimethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperidine is sourced from PubChem (CID 118964576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).