4-(4-ethoxypiperidin-1-yl)-3-(propylamino)butan-1-ol

C14H30N2O2 — CID 64899032

IUPAC4-(4-ethoxypiperidin-1-yl)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN1CCC(OCC)CC1
InChIInChI=1S/C14H30N2O2/c1-3-8-15-13(7-11-17)12-16-9-5-14(6-10-16)18-4-2/h13-15,17H,3-12H2,1-2H3
InChIKeySPIBJUHVZSTKJS-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.24
Rot. Bonds9

About 4-(4-ethoxypiperidin-1-yl)-3-(propylamino)butan-1-ol

4-(4-ethoxypiperidin-1-yl)-3-(propylamino)butan-1-ol (PubChem CID 64899032) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-(4-ethoxypiperidin-1-yl)-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(4-ethoxypiperidin-1-yl)-3-(propylamino)butan-1-ol
PubChem CID64899032
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name4-(4-ethoxypiperidin-1-yl)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN1CCC(OCC)CC1
InChIInChI=1S/C14H30N2O2/c1-3-8-15-13(7-11-17)12-16-9-5-14(6-10-16)18-4-2/h13-15,17H,3-12H2,1-2H3
InChIKeySPIBJUHVZSTKJS-UHFFFAOYSA-N
XLogP1.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 103494996
N-[1-cyclopropyl-2-(4-ethoxypiperidin-1-yl)ethyl]propan-1-amine
CID 63914310
4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol
CID 64898612
N,N-dimethyl-1-[2-(propylamino)pentyl]piperidin-4-amine
CID 62043146
4-[4-(dimethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-ol
CID 64900324
4-(2-methylpiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 64898364
1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine
CID 64569510
4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol
CID 64898823
4-(2,4-dimethylpiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 64899261
3-(4-methylazepan-1-yl)-2-(propylamino)propan-1-ol
CID 64789180
2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol
CID 64796269
3-(4-ethylazepan-1-yl)-2-(propylamino)propan-1-ol
CID 64811056

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxypiperidin-1-yl)-3-(propylamino)butan-1-ol?
The IUPAC name of 4-(4-ethoxypiperidin-1-yl)-3-(propylamino)butan-1-ol (CID 64899032) is 4-(4-ethoxypiperidin-1-yl)-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(4-ethoxypiperidin-1-yl)-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-(4-ethoxypiperidin-1-yl)-3-(propylamino)butan-1-ol is CCCNC(CCO)CN1CCC(OCC)CC1.
What is the InChIKey of 4-(4-ethoxypiperidin-1-yl)-3-(propylamino)butan-1-ol?
The InChIKey is SPIBJUHVZSTKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-3-8-15-13(7-11-17)12-16-9-5-14(6-10-16)18-4-2/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 4-(4-ethoxypiperidin-1-yl)-3-(propylamino)butan-1-ol?
4-(4-ethoxypiperidin-1-yl)-3-(propylamino)butan-1-ol has a molecular weight of 258.41 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxypiperidin-1-yl)-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64899032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).