[(2S)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-2-yl]methanamine

C20H33N3O — CID 99927817

IUPAC[(2S)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-2-yl]methanamine
SMILESNC[C@@H]1CCCCN1Cc1ccccc1OCCN1CCCCC1
InChIInChI=1S/C20H33N3O/c21-16-19-9-4-7-13-23(19)17-18-8-2-3-10-20(18)24-15-14-22-11-5-1-6-12-22/h2-3,8,10,19H,1,4-7,9,11-17,21H2/t19-/m0/s1
InChIKeyMKWVHMCDHBRIAW-IBGZPJMESA-N
MW331.50 g/mol
LogP2.86
Rot. Bonds7

About [(2S)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-2-yl]methanamine

[(2S)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-2-yl]methanamine (PubChem CID 99927817) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is [(2S)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-2-yl]methanamine
PubChem CID99927817
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name[(2S)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-2-yl]methanamine
SMILESNC[C@@H]1CCCCN1Cc1ccccc1OCCN1CCCCC1
InChIInChI=1S/C20H33N3O/c21-16-19-9-4-7-13-23(19)17-18-8-2-3-10-20(18)24-15-14-22-11-5-1-6-12-22/h2-3,8,10,19H,1,4-7,9,11-17,21H2/t19-/m0/s1
InChIKeyMKWVHMCDHBRIAW-IBGZPJMESA-N
XLogP2.86
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine
CID 99953156
1-[2-[2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]phenoxy]ethyl]piperidine
CID 124750935
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
(1R,5S)-3-methyl-6-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133133786
[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine
CID 115311651
(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidin-3-amine
CID 99941786
(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine
CID 99930601
[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 113453609
1-[2-(2-propylphenoxy)ethyl]pyrrolidine
CID 173254301
2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 107713118
1-[2-(2-butylphenoxy)ethyl]piperidine
CID 5129730

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-2-yl]methanamine?
The IUPAC name of [(2S)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-2-yl]methanamine (CID 99927817) is [(2S)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [(2S)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [(2S)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-2-yl]methanamine is NC[C@@H]1CCCCN1Cc1ccccc1OCCN1CCCCC1.
What is the InChIKey of [(2S)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-2-yl]methanamine?
The InChIKey is MKWVHMCDHBRIAW-IBGZPJMESA-N. The full InChI is InChI=1S/C20H33N3O/c21-16-19-9-4-7-13-23(19)17-18-8-2-3-10-20(18)24-15-14-22-11-5-1-6-12-22/h2-3,8,10,19H,1,4-7,9,11-17,21H2/t19-/m0/s1.
What are the key properties of [(2S)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-2-yl]methanamine?
[(2S)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-2-yl]methanamine has a molecular weight of 331.50 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 99927817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).