(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine

C20H33N3O — CID 99930601

IUPAC(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine
SMILESN[C@H]1CCCN(Cc2ccccc2OCCCN2CCCCC2)C1
InChIInChI=1S/C20H33N3O/c21-19-9-6-13-23(17-19)16-18-8-2-3-10-20(18)24-15-7-14-22-11-4-1-5-12-22/h2-3,8,10,19H,1,4-7,9,11-17,21H2/t19-/m0/s1
InChIKeyOBABKBYTMHFRQI-IBGZPJMESA-N
MW331.50 g/mol
LogP2.86
Rot. Bonds7

About (3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine

(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine (PubChem CID 99930601) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is (3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine
PubChem CID99930601
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine
SMILESN[C@H]1CCCN(Cc2ccccc2OCCCN2CCCCC2)C1
InChIInChI=1S/C20H33N3O/c21-19-9-6-13-23(17-19)16-18-8-2-3-10-20(18)24-15-7-14-22-11-4-1-5-12-22/h2-3,8,10,19H,1,4-7,9,11-17,21H2/t19-/m0/s1
InChIKeyOBABKBYTMHFRQI-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidin-3-amine
CID 99941786
(3S)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 99927491
(3aR,6aS)-5-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 77088681
(3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine
CID 99941836
(3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine
CID 102977398
(1S,5R,6R)-3-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]-3-azabicyclo[3.2.0]heptan-6-ol
CID 137343050
(3R)-1-(3-phenoxypropyl)piperidin-3-amine
CID 102977310
2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol
CID 24904442
2-[2-[(4-aminoazepan-1-yl)methyl]phenoxy]ethanol;dihydrochloride
CID 154900743
[1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 54794622
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
1-[[2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]methyl]azetidin-3-ol
CID 99933820

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine?
The IUPAC name of (3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine (CID 99930601) is (3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine is N[C@H]1CCCN(Cc2ccccc2OCCCN2CCCCC2)C1.
What is the InChIKey of (3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine?
The InChIKey is OBABKBYTMHFRQI-IBGZPJMESA-N. The full InChI is InChI=1S/C20H33N3O/c21-19-9-6-13-23(17-19)16-18-8-2-3-10-20(18)24-15-7-14-22-11-4-1-5-12-22/h2-3,8,10,19H,1,4-7,9,11-17,21H2/t19-/m0/s1.
What are the key properties of (3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine?
(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine 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 (3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine is sourced from PubChem (CID 99930601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).