1-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]-4-propan-2-ylpiperidine

C19H38N2O — CID 175629532

IUPAC1-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]-4-propan-2-ylpiperidine
SMILESCOCCCC1CCN(CCN2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C19H38N2O/c1-17(2)19-8-12-21(13-9-19)15-14-20-10-6-18(7-11-20)5-4-16-22-3/h17-19H,4-16H2,1-3H3
InChIKeyIMFHHZHLFMQVOU-UHFFFAOYSA-N
MW310.53 g/mol
LogP3.49
Rot. Bonds8

About 1-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]-4-propan-2-ylpiperidine

1-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]-4-propan-2-ylpiperidine (PubChem CID 175629532) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is 1-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]-4-propan-2-ylpiperidine
PubChem CID175629532
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Name1-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]-4-propan-2-ylpiperidine
SMILESCOCCCC1CCN(CCN2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C19H38N2O/c1-17(2)19-8-12-21(13-9-19)15-14-20-10-6-18(7-11-20)5-4-16-22-3/h17-19H,4-16H2,1-3H3
InChIKeyIMFHHZHLFMQVOU-UHFFFAOYSA-N
XLogP3.49
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxypropyl)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine
CID 175626941
4-(2-methoxyethyl)-1-octylpiperidine
CID 134254922
1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine
CID 170372323
1-(2-cyclobutylethyl)-4-propan-2-ylpiperidine
CID 176983543
1-ethyl-4-[2-[4-(2-propan-2-yloxyethyl)piperidin-1-yl]ethyl]piperazine
CID 170364246
4-(1-bromoethyl)-1-(2-methoxyethyl)piperidine
CID 106838203
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 172511697
ethane;4-ethyl-1-(2-methoxyethyl)piperidine
CID 177021605
4-(4-propan-2-ylpiperidin-1-yl)butyl hypofluorite
CID 176985714
4-(5-methoxypentan-2-yl)-1-pentadecylpiperidine
CID 58623460
1-ethyl-4-[2-(4-propan-2-ylpiperidin-1-yl)ethoxymethyl]piperidine
CID 176983279
2-[4-(3-methoxypropyl)piperidin-1-yl]-1-(prop-1-en-2-ylamino)ethanol
CID 170569588

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]-4-propan-2-ylpiperidine?
The IUPAC name of 1-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]-4-propan-2-ylpiperidine (CID 175629532) is 1-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]-4-propan-2-ylpiperidine?
The canonical SMILES for 1-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]-4-propan-2-ylpiperidine is COCCCC1CCN(CCN2CCC(C(C)C)CC2)CC1.
What is the InChIKey of 1-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]-4-propan-2-ylpiperidine?
The InChIKey is IMFHHZHLFMQVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O/c1-17(2)19-8-12-21(13-9-19)15-14-20-10-6-18(7-11-20)5-4-16-22-3/h17-19H,4-16H2,1-3H3.
What are the key properties of 1-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]-4-propan-2-ylpiperidine?
1-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]-4-propan-2-ylpiperidine has a molecular weight of 310.53 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]-4-propan-2-ylpiperidine is sourced from PubChem (CID 175629532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).