N,4-dimethyl-1-[(4-propoxyphenyl)methyl]piperidin-4-amine

C17H28N2O — CID 115304080

IUPACN,4-dimethyl-1-[(4-propoxyphenyl)methyl]piperidin-4-amine
SMILESCCCOc1ccc(CN2CCC(C)(NC)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-4-13-20-16-7-5-15(6-8-16)14-19-11-9-17(2,18-3)10-12-19/h5-8,18H,4,9-14H2,1-3H3
InChIKeyZDLFXOCGJJZRIX-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds6

About N,4-dimethyl-1-[(4-propoxyphenyl)methyl]piperidin-4-amine

N,4-dimethyl-1-[(4-propoxyphenyl)methyl]piperidin-4-amine (PubChem CID 115304080) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N,4-dimethyl-1-[(4-propoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-[(4-propoxyphenyl)methyl]piperidin-4-amine
PubChem CID115304080
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN,4-dimethyl-1-[(4-propoxyphenyl)methyl]piperidin-4-amine
SMILESCCCOc1ccc(CN2CCC(C)(NC)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-4-13-20-16-7-5-15(6-8-16)14-19-11-9-17(2,18-3)10-12-19/h5-8,18H,4,9-14H2,1-3H3
InChIKeyZDLFXOCGJJZRIX-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-iodophenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 113283047
ethyl 4-hydroxy-1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylate
CID 134109409
N,4-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 115304018
N-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine
CID 115299984
bis[4-[(4-propoxyphenyl)methyl]piperazin-1-yl]methanone
CID 151375895
2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol
CID 113282904
1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5233671
1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 113282864
1-[(4-butoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 112798075
1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine
CID 112798089
4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyridine-2-carbonitrile
CID 115305378
1-[(2,6-dichlorophenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115304191

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-[(4-propoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of N,4-dimethyl-1-[(4-propoxyphenyl)methyl]piperidin-4-amine (CID 115304080) is N,4-dimethyl-1-[(4-propoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N,4-dimethyl-1-[(4-propoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N,4-dimethyl-1-[(4-propoxyphenyl)methyl]piperidin-4-amine is CCCOc1ccc(CN2CCC(C)(NC)CC2)cc1.
What is the InChIKey of N,4-dimethyl-1-[(4-propoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is ZDLFXOCGJJZRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-13-20-16-7-5-15(6-8-16)14-19-11-9-17(2,18-3)10-12-19/h5-8,18H,4,9-14H2,1-3H3.
What are the key properties of N,4-dimethyl-1-[(4-propoxyphenyl)methyl]piperidin-4-amine?
N,4-dimethyl-1-[(4-propoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-[(4-propoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 115304080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).