1-(2-methylhexyl)-4-[(2R)-5-methylhex-3-yn-2-yl]oxypiperidine

C19H35NO — CID 170063115

IUPAC1-(2-methylhexyl)-4-[(2R)-5-methylhex-3-yn-2-yl]oxypiperidine
SMILESCCCCC(C)CN1CCC(O[C@H](C)C#CC(C)C)CC1
InChIInChI=1S/C19H35NO/c1-6-7-8-17(4)15-20-13-11-19(12-14-20)21-18(5)10-9-16(2)3/h16-19H,6-8,11-15H2,1-5H3/t17?,18-/m1/s1
InChIKeyRLHRCVCRETWQJP-QRWMCTBCSA-N
MW293.50 g/mol
LogP4.34
Rot. Bonds7

About 1-(2-methylhexyl)-4-[(2R)-5-methylhex-3-yn-2-yl]oxypiperidine

1-(2-methylhexyl)-4-[(2R)-5-methylhex-3-yn-2-yl]oxypiperidine (PubChem CID 170063115) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-(2-methylhexyl)-4-[(2R)-5-methylhex-3-yn-2-yl]oxypiperidine.

Molecular Properties

Compound Name1-(2-methylhexyl)-4-[(2R)-5-methylhex-3-yn-2-yl]oxypiperidine
PubChem CID170063115
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name1-(2-methylhexyl)-4-[(2R)-5-methylhex-3-yn-2-yl]oxypiperidine
SMILESCCCCC(C)CN1CCC(O[C@H](C)C#CC(C)C)CC1
InChIInChI=1S/C19H35NO/c1-6-7-8-17(4)15-20-13-11-19(12-14-20)21-18(5)10-9-16(2)3/h16-19H,6-8,11-15H2,1-5H3/t17?,18-/m1/s1
InChIKeyRLHRCVCRETWQJP-QRWMCTBCSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hexylnonyl)-4-[(2R)-5-methyldec-3-yn-2-yl]oxypiperidine
CID 166733418
(3S)-1-(2-methylpentyl)pyrrolidin-3-amine
CID 115302330
1-(4-propan-2-ylpiperidin-1-yl)hexan-2-amine
CID 103497519
4-methyl-5-(4-propan-2-ylpiperidin-1-yl)pentan-1-amine
CID 103497584
6-methyl-7-(4-propylpiperidin-1-yl)heptan-2-amine
CID 65295732
9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane
CID 170250361
1-ethyl-4-[(2S)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
CID 170372630
4-(5-methyloct-3-ynyl)-1-(2-methylpentyl)piperidine
CID 170006256
2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592590
3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497335
4-(2-chloroethoxy)-1-(2-ethylhexyl)piperidine
CID 82701804
3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine
CID 80544082

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylhexyl)-4-[(2R)-5-methylhex-3-yn-2-yl]oxypiperidine?
The IUPAC name of 1-(2-methylhexyl)-4-[(2R)-5-methylhex-3-yn-2-yl]oxypiperidine (CID 170063115) is 1-(2-methylhexyl)-4-[(2R)-5-methylhex-3-yn-2-yl]oxypiperidine.
What is the SMILES notation for 1-(2-methylhexyl)-4-[(2R)-5-methylhex-3-yn-2-yl]oxypiperidine?
The canonical SMILES for 1-(2-methylhexyl)-4-[(2R)-5-methylhex-3-yn-2-yl]oxypiperidine is CCCCC(C)CN1CCC(O[C@H](C)C#CC(C)C)CC1.
What is the InChIKey of 1-(2-methylhexyl)-4-[(2R)-5-methylhex-3-yn-2-yl]oxypiperidine?
The InChIKey is RLHRCVCRETWQJP-QRWMCTBCSA-N. The full InChI is InChI=1S/C19H35NO/c1-6-7-8-17(4)15-20-13-11-19(12-14-20)21-18(5)10-9-16(2)3/h16-19H,6-8,11-15H2,1-5H3/t17?,18-/m1/s1.
What are the key properties of 1-(2-methylhexyl)-4-[(2R)-5-methylhex-3-yn-2-yl]oxypiperidine?
1-(2-methylhexyl)-4-[(2R)-5-methylhex-3-yn-2-yl]oxypiperidine has a molecular weight of 293.50 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylhexyl)-4-[(2R)-5-methylhex-3-yn-2-yl]oxypiperidine is sourced from PubChem (CID 170063115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).