1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine

C17H35NO — CID 170372323

IUPAC1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine
SMILESCC(C)CCCN1CCC(CCCOC(C)C)CC1
InChIInChI=1S/C17H35NO/c1-15(2)7-5-11-18-12-9-17(10-13-18)8-6-14-19-16(3)4/h15-17H,5-14H2,1-4H3
InChIKeyCFVPUWHNNOUQFU-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.34
Rot. Bonds9

About 1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine

1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine (PubChem CID 170372323) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine.

Molecular Properties

Compound Name1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine
PubChem CID170372323
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine
SMILESCC(C)CCCN1CCC(CCCOC(C)C)CC1
InChIInChI=1S/C17H35NO/c1-15(2)7-5-11-18-12-9-17(10-13-18)8-6-14-19-16(3)4/h15-17H,5-14H2,1-4H3
InChIKeyCFVPUWHNNOUQFU-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylpentyl)-4-[2-(5-propan-2-yloxypentoxy)ethyl]piperidine
CID 154992758
4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol
CID 71395080
1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine
CID 177247678
1-butyl-4-(3-methylbutyl)piperidine
CID 167107380
1-ethyl-4-[2-[4-(2-propan-2-yloxyethyl)piperidin-1-yl]ethyl]piperazine
CID 170364246
1-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]-4-propan-2-ylpiperidine
CID 175629532
N-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine
CID 83158561
1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine
CID 123314475
2-[4-(4-methylpentyl)piperidin-1-yl]ethyl nitrate
CID 58782346
4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine
CID 166128107
N-propan-2-yl-3-[4-(3-propan-2-yloxypropyl)piperidin-1-yl]prop-1-en-2-amine
CID 170569679
1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine
CID 176877129

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine?
The IUPAC name of 1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine (CID 170372323) is 1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine.
What is the SMILES notation for 1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine?
The canonical SMILES for 1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine is CC(C)CCCN1CCC(CCCOC(C)C)CC1.
What is the InChIKey of 1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine?
The InChIKey is CFVPUWHNNOUQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-15(2)7-5-11-18-12-9-17(10-13-18)8-6-14-19-16(3)4/h15-17H,5-14H2,1-4H3.
What are the key properties of 1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine?
1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine has a molecular weight of 269.47 g/mol, XLogP of 4.34, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine is sourced from PubChem (CID 170372323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).