(3R,4S)-4-methyl-1-(4-methyl-4-propoxypentyl)piperidin-3-ol

C15H31NO2 — CID 142979977

IUPAC(3R,4S)-4-methyl-1-(4-methyl-4-propoxypentyl)piperidin-3-ol
SMILESCCCOC(C)(C)CCCN1CC[C@H](C)[C@@H](O)C1
InChIInChI=1S/C15H31NO2/c1-5-11-18-15(3,4)8-6-9-16-10-7-13(2)14(17)12-16/h13-14,17H,5-12H2,1-4H3/t13-,14-/m0/s1
InChIKeyFGEQFAJJPZOKIL-KBPBESRZSA-N
MW257.42 g/mol
LogP2.67
Rot. Bonds7

About (3R,4S)-4-methyl-1-(4-methyl-4-propoxypentyl)piperidin-3-ol

(3R,4S)-4-methyl-1-(4-methyl-4-propoxypentyl)piperidin-3-ol (PubChem CID 142979977) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is (3R,4S)-4-methyl-1-(4-methyl-4-propoxypentyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-methyl-1-(4-methyl-4-propoxypentyl)piperidin-3-ol
PubChem CID142979977
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name(3R,4S)-4-methyl-1-(4-methyl-4-propoxypentyl)piperidin-3-ol
SMILESCCCOC(C)(C)CCCN1CC[C@H](C)[C@@H](O)C1
InChIInChI=1S/C15H31NO2/c1-5-11-18-15(3,4)8-6-9-16-10-7-13(2)14(17)12-16/h13-14,17H,5-12H2,1-4H3/t13-,14-/m0/s1
InChIKeyFGEQFAJJPZOKIL-KBPBESRZSA-N
XLogP2.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 103897919
1-(3-bromopropyl)-4-methylpiperidin-3-ol
CID 102964330
1-[2-(2-chloroethoxy)ethyl]-4-methylpiperidin-3-ol
CID 102964300
(3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol
CID 59334347
4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol
CID 103898055
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-ol
CID 114502590
1-pentylpiperidine-3,4-diol
CID 69410100
1-[3-(tert-butylamino)propyl]-3-methylpiperidin-4-ol
CID 114681079
1-[2-ethyl-2-(propylaminomethyl)butyl]-4-methylpiperidin-3-ol
CID 102966934
1-(6-amino-5,5-dimethylhexyl)-3-methylpiperidin-4-ol
CID 106708252
(3S,4R)-1-[3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propyl]-4-methylpiperidin-3-ol
CID 154412257
5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanoic acid
CID 102968597

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-methyl-1-(4-methyl-4-propoxypentyl)piperidin-3-ol?
The IUPAC name of (3R,4S)-4-methyl-1-(4-methyl-4-propoxypentyl)piperidin-3-ol (CID 142979977) is (3R,4S)-4-methyl-1-(4-methyl-4-propoxypentyl)piperidin-3-ol.
What is the SMILES notation for (3R,4S)-4-methyl-1-(4-methyl-4-propoxypentyl)piperidin-3-ol?
The canonical SMILES for (3R,4S)-4-methyl-1-(4-methyl-4-propoxypentyl)piperidin-3-ol is CCCOC(C)(C)CCCN1CC[C@H](C)[C@@H](O)C1.
What is the InChIKey of (3R,4S)-4-methyl-1-(4-methyl-4-propoxypentyl)piperidin-3-ol?
The InChIKey is FGEQFAJJPZOKIL-KBPBESRZSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-11-18-15(3,4)8-6-9-16-10-7-13(2)14(17)12-16/h13-14,17H,5-12H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of (3R,4S)-4-methyl-1-(4-methyl-4-propoxypentyl)piperidin-3-ol?
(3R,4S)-4-methyl-1-(4-methyl-4-propoxypentyl)piperidin-3-ol has a molecular weight of 257.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-methyl-1-(4-methyl-4-propoxypentyl)piperidin-3-ol is sourced from PubChem (CID 142979977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).