4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine

C19H37NO — CID 177203652

IUPAC4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine
SMILESC=CC(C)CC(C)(CC)C1CCN(CCOC(C)C)CC1
InChIInChI=1S/C19H37NO/c1-7-17(5)15-19(6,8-2)18-9-11-20(12-10-18)13-14-21-16(3)4/h7,16-18H,1,8-15H2,2-6H3
InChIKeyJECAMKXLWCVYQP-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.75
Rot. Bonds9

About 4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine

4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine (PubChem CID 177203652) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine.

Molecular Properties

Compound Name4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine
PubChem CID177203652
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine
SMILESC=CC(C)CC(C)(CC)C1CCN(CCOC(C)C)CC1
InChIInChI=1S/C19H37NO/c1-7-17(5)15-19(6,8-2)18-9-11-20(12-10-18)13-14-21-16(3)4/h7,16-18H,1,8-15H2,2-6H3
InChIKeyJECAMKXLWCVYQP-UHFFFAOYSA-N
XLogP4.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol
CID 156869049
4-bromo-1-(2-propan-2-yloxyethyl)piperidine
CID 80679344
N-methyl-1-(2-propan-2-yloxyethyl)piperidin-4-amine;hydrochloride
CID 119923511
4-(bromomethyl)-1-(2-propan-2-yloxyethyl)piperidine
CID 80677013
3-bromo-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 80676052
[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methanamine
CID 61485123
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(2-propan-2-yloxyethyl)piperazine
CID 135217006
4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine
CID 166128107
1-cyclopropyl-4-(2-propan-2-yloxyethyl)piperazine
CID 166028340
N-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592739
1-ethyl-4-[2-[4-(2-propan-2-yloxyethyl)piperidin-1-yl]ethyl]piperazine
CID 170364246
methane;1-(piperidin-4-ylmethyl)-4-(2-propan-2-yloxyethyl)piperazine;prop-1-ene
CID 156867170

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine?
The IUPAC name of 4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine (CID 177203652) is 4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine.
What is the SMILES notation for 4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine?
The canonical SMILES for 4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine is C=CC(C)CC(C)(CC)C1CCN(CCOC(C)C)CC1.
What is the InChIKey of 4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine?
The InChIKey is JECAMKXLWCVYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-7-17(5)15-19(6,8-2)18-9-11-20(12-10-18)13-14-21-16(3)4/h7,16-18H,1,8-15H2,2-6H3.
What are the key properties of 4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine?
4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine has a molecular weight of 295.51 g/mol, XLogP of 4.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine is sourced from PubChem (CID 177203652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).