3-[1-(2-amino-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol

C22H30N2O — CID 19735846

IUPAC3-[1-(2-amino-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol
SMILESCC1CN(CC(N)Cc2ccccc2)CCC1(C)c1cccc(O)c1
InChIInChI=1S/C22H30N2O/c1-17-15-24(16-20(23)13-18-7-4-3-5-8-18)12-11-22(17,2)19-9-6-10-21(25)14-19/h3-10,14,17,20,25H,11-13,15-16,23H2,1-2H3
InChIKeyCMAAKUQWILVOHC-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.56
Rot. Bonds5

About 3-[1-(2-amino-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol

3-[1-(2-amino-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol (PubChem CID 19735846) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 3-[1-(2-amino-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[1-(2-amino-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol
PubChem CID19735846
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name3-[1-(2-amino-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol
SMILESCC1CN(CC(N)Cc2ccccc2)CCC1(C)c1cccc(O)c1
InChIInChI=1S/C22H30N2O/c1-17-15-24(16-20(23)13-18-7-4-3-5-8-18)12-11-22(17,2)19-9-6-10-21(25)14-19/h3-10,14,17,20,25H,11-13,15-16,23H2,1-2H3
InChIKeyCMAAKUQWILVOHC-UHFFFAOYSA-N
XLogP3.56
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoate
CID 68777820
ethyl 2-benzyl-3-[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoate
CID 10408394
(5S)-5-benzyl-6-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-4-oxohexanoic acid
CID 158625894
3-[(3R,4R)-3,4-dimethyl-1-(4-phenylbutyl)piperidin-4-yl]phenol
CID 10382459
(2R,3S)-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl]-2,3-dimethyl-4-phenylbutanoic acid
CID 163615683
ethyl 2-[[3-benzyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-2-oxobutyl]amino]acetate
CID 67690480
2-[[2-benzyl-1-hydroxy-3-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propyl]amino]-N,N-dimethylacetamide
CID 67690617
2-[[2-benzyl-3-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]pentanoic acid;hydrochloride
CID 67690489
3-[1-[(3S)-3-hydroxy-3-phenylpropyl]-3,4-dimethylpiperidin-4-yl]phenol
CID 67562037
3-[(3R,4R)-1-[(2S)-2-carboxy-3-phenylpropyl]-3,4-dimethylpiperidin-4-yl]benzoic acid
CID 59730473
3-[[4-(3-aminophenyl)-3,4-dimethylpiperidin-1-yl]methyl]-4-phenylbutan-2-one
CID 76754485
2-[3-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl-methylamino]-3-phenylpropanoic acid
CID 57340771

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-amino-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol?
The IUPAC name of 3-[1-(2-amino-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol (CID 19735846) is 3-[1-(2-amino-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol.
What is the SMILES notation for 3-[1-(2-amino-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol?
The canonical SMILES for 3-[1-(2-amino-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol is CC1CN(CC(N)Cc2ccccc2)CCC1(C)c1cccc(O)c1.
What is the InChIKey of 3-[1-(2-amino-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol?
The InChIKey is CMAAKUQWILVOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-17-15-24(16-20(23)13-18-7-4-3-5-8-18)12-11-22(17,2)19-9-6-10-21(25)14-19/h3-10,14,17,20,25H,11-13,15-16,23H2,1-2H3.
What are the key properties of 3-[1-(2-amino-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol?
3-[1-(2-amino-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol has a molecular weight of 338.50 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-amino-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol is sourced from PubChem (CID 19735846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).