4-(2,4-dimethylpiperidin-1-yl)-3-(propylamino)butan-1-ol

C14H30N2O — CID 64899261

IUPAC4-(2,4-dimethylpiperidin-1-yl)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN1CCC(C)CC1C
InChIInChI=1S/C14H30N2O/c1-4-7-15-14(6-9-17)11-16-8-5-12(2)10-13(16)3/h12-15,17H,4-11H2,1-3H3
InChIKeyRQACTMOOYZCKRT-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds7

About 4-(2,4-dimethylpiperidin-1-yl)-3-(propylamino)butan-1-ol

4-(2,4-dimethylpiperidin-1-yl)-3-(propylamino)butan-1-ol (PubChem CID 64899261) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-(2,4-dimethylpiperidin-1-yl)-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2,4-dimethylpiperidin-1-yl)-3-(propylamino)butan-1-ol
PubChem CID64899261
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-(2,4-dimethylpiperidin-1-yl)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN1CCC(C)CC1C
InChIInChI=1S/C14H30N2O/c1-4-7-15-14(6-9-17)11-16-8-5-12(2)10-13(16)3/h12-15,17H,4-11H2,1-3H3
InChIKeyRQACTMOOYZCKRT-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 64898364
3-amino-4-(2,4-dimethylpiperidin-1-yl)butan-1-ol
CID 64899218
4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 103494996
4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol
CID 64898612
3-(2,4-dimethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine
CID 62430346
1-(2,4-dimethylpiperidin-1-yl)propan-2-amine
CID 62331948
(2R)-1-(2,4-dimethylpiperidin-1-yl)propan-2-ol
CID 103935109
4-(4-ethoxypiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 64899032
(2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine
CID 130645010
1-(2,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-2-ol
CID 62331770
3-(methylamino)-4-(2-methylpyrrolidin-1-yl)butan-1-ol
CID 64898588
1-(3,5-dimethylpiperidin-1-yl)-N-propylpentan-2-amine
CID 62042262

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpiperidin-1-yl)-3-(propylamino)butan-1-ol?
The IUPAC name of 4-(2,4-dimethylpiperidin-1-yl)-3-(propylamino)butan-1-ol (CID 64899261) is 4-(2,4-dimethylpiperidin-1-yl)-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(2,4-dimethylpiperidin-1-yl)-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-(2,4-dimethylpiperidin-1-yl)-3-(propylamino)butan-1-ol is CCCNC(CCO)CN1CCC(C)CC1C.
What is the InChIKey of 4-(2,4-dimethylpiperidin-1-yl)-3-(propylamino)butan-1-ol?
The InChIKey is RQACTMOOYZCKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-7-15-14(6-9-17)11-16-8-5-12(2)10-13(16)3/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 4-(2,4-dimethylpiperidin-1-yl)-3-(propylamino)butan-1-ol?
4-(2,4-dimethylpiperidin-1-yl)-3-(propylamino)butan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpiperidin-1-yl)-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64899261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).