4-[2-[4-[2-(methylamino)ethyl]piperidin-1-yl]propyl]phenol

C17H28N2O — CID 115496100

IUPAC4-[2-[4-[2-(methylamino)ethyl]piperidin-1-yl]propyl]phenol
SMILESCNCCC1CCN(C(C)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C17H28N2O/c1-14(13-16-3-5-17(20)6-4-16)19-11-8-15(9-12-19)7-10-18-2/h3-6,14-15,18,20H,7-13H2,1-2H3
InChIKeyQJHPODODAIZGFC-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.64
Rot. Bonds6

About 4-[2-[4-[2-(methylamino)ethyl]piperidin-1-yl]propyl]phenol

4-[2-[4-[2-(methylamino)ethyl]piperidin-1-yl]propyl]phenol (PubChem CID 115496100) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[2-[4-[2-(methylamino)ethyl]piperidin-1-yl]propyl]phenol.

Molecular Properties

Compound Name4-[2-[4-[2-(methylamino)ethyl]piperidin-1-yl]propyl]phenol
PubChem CID115496100
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-[2-[4-[2-(methylamino)ethyl]piperidin-1-yl]propyl]phenol
SMILESCNCCC1CCN(C(C)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C17H28N2O/c1-14(13-16-3-5-17(20)6-4-16)19-11-8-15(9-12-19)7-10-18-2/h3-6,14-15,18,20H,7-13H2,1-2H3
InChIKeyQJHPODODAIZGFC-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-yl]propanoic acid
CID 115496186
4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol
CID 115496143
4-[2-(4-amino-3-methylpiperidin-1-yl)propyl]phenol
CID 113323165
4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol
CID 115496095
4-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]phenol
CID 82979763
4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenol
CID 82976880
4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol
CID 114541108
4-[2-(3,5-dimethylpiperazin-1-yl)propyl]phenol
CID 113323158
1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-amine
CID 104973645
4-[2-[3-(dimethylamino)piperidin-1-yl]propyl]phenol
CID 82983896
1-[(2R)-1-phenylpropan-2-yl]piperidin-4-ol
CID 129494382
2-methyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoic acid
CID 79414773

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(methylamino)ethyl]piperidin-1-yl]propyl]phenol?
The IUPAC name of 4-[2-[4-[2-(methylamino)ethyl]piperidin-1-yl]propyl]phenol (CID 115496100) is 4-[2-[4-[2-(methylamino)ethyl]piperidin-1-yl]propyl]phenol.
What is the SMILES notation for 4-[2-[4-[2-(methylamino)ethyl]piperidin-1-yl]propyl]phenol?
The canonical SMILES for 4-[2-[4-[2-(methylamino)ethyl]piperidin-1-yl]propyl]phenol is CNCCC1CCN(C(C)Cc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[2-[4-[2-(methylamino)ethyl]piperidin-1-yl]propyl]phenol?
The InChIKey is QJHPODODAIZGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(13-16-3-5-17(20)6-4-16)19-11-8-15(9-12-19)7-10-18-2/h3-6,14-15,18,20H,7-13H2,1-2H3.
What are the key properties of 4-[2-[4-[2-(methylamino)ethyl]piperidin-1-yl]propyl]phenol?
4-[2-[4-[2-(methylamino)ethyl]piperidin-1-yl]propyl]phenol has a molecular weight of 276.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(methylamino)ethyl]piperidin-1-yl]propyl]phenol is sourced from PubChem (CID 115496100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).