3-[[4-[(4-methoxy-4-methylpentan-2-yl)amino]piperidin-1-yl]methyl]phenol

C19H32N2O2 — CID 50967878

IUPAC3-[[4-[(4-methoxy-4-methylpentan-2-yl)amino]piperidin-1-yl]methyl]phenol
SMILESCOC(C)(C)CC(C)NC1CCN(Cc2cccc(O)c2)CC1
InChIInChI=1S/C19H32N2O2/c1-15(13-19(2,3)23-4)20-17-8-10-21(11-9-17)14-16-6-5-7-18(22)12-16/h5-7,12,15,17,20,22H,8-11,13-14H2,1-4H3
InChIKeyGYSWBSQGTAWIEB-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.15
Rot. Bonds7

About 3-[[4-[(4-methoxy-4-methylpentan-2-yl)amino]piperidin-1-yl]methyl]phenol

3-[[4-[(4-methoxy-4-methylpentan-2-yl)amino]piperidin-1-yl]methyl]phenol (PubChem CID 50967878) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 3-[[4-[(4-methoxy-4-methylpentan-2-yl)amino]piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[4-[(4-methoxy-4-methylpentan-2-yl)amino]piperidin-1-yl]methyl]phenol
PubChem CID50967878
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name3-[[4-[(4-methoxy-4-methylpentan-2-yl)amino]piperidin-1-yl]methyl]phenol
SMILESCOC(C)(C)CC(C)NC1CCN(Cc2cccc(O)c2)CC1
InChIInChI=1S/C19H32N2O2/c1-15(13-19(2,3)23-4)20-17-8-10-21(11-9-17)14-16-6-5-7-18(22)12-16/h5-7,12,15,17,20,22H,8-11,13-14H2,1-4H3
InChIKeyGYSWBSQGTAWIEB-UHFFFAOYSA-N
XLogP3.15
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[4-[(4-methoxy-4-methylpentan-2-yl)amino]piperidin-1-yl]methyl]phenol with MolForge

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Related Compounds

2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol
CID 43499736
2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]acetamide
CID 166612408
3-[(1-benzylpiperidin-4-yl)amino]phenol
CID 28722324
3-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115883991
3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol
CID 82980094
1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine
CID 8024741
3-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]phenol
CID 82701584
3-[(1R)-1-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]ethyl]phenol
CID 124627981
methyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate
CID 91648625
3-(3-hydroxy-3-methylbut-1-ynyl)-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]benzamide
CID 131915003
3-[(3-aminopyrrolidin-1-yl)methyl]phenol
CID 22966382
3-[(3-chloro-4-methylpiperidin-1-yl)methyl]phenol
CID 102960125

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4-methoxy-4-methylpentan-2-yl)amino]piperidin-1-yl]methyl]phenol?
The IUPAC name of 3-[[4-[(4-methoxy-4-methylpentan-2-yl)amino]piperidin-1-yl]methyl]phenol (CID 50967878) is 3-[[4-[(4-methoxy-4-methylpentan-2-yl)amino]piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[4-[(4-methoxy-4-methylpentan-2-yl)amino]piperidin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[4-[(4-methoxy-4-methylpentan-2-yl)amino]piperidin-1-yl]methyl]phenol is COC(C)(C)CC(C)NC1CCN(Cc2cccc(O)c2)CC1.
What is the InChIKey of 3-[[4-[(4-methoxy-4-methylpentan-2-yl)amino]piperidin-1-yl]methyl]phenol?
The InChIKey is GYSWBSQGTAWIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-15(13-19(2,3)23-4)20-17-8-10-21(11-9-17)14-16-6-5-7-18(22)12-16/h5-7,12,15,17,20,22H,8-11,13-14H2,1-4H3.
What are the key properties of 3-[[4-[(4-methoxy-4-methylpentan-2-yl)amino]piperidin-1-yl]methyl]phenol?
3-[[4-[(4-methoxy-4-methylpentan-2-yl)amino]piperidin-1-yl]methyl]phenol has a molecular weight of 320.48 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(4-methoxy-4-methylpentan-2-yl)amino]piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 50967878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).