N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine

C18H31N3 — CID 28680147

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
SMILESCCN(CC)Cc1ccc(CNC2CCN(C)CC2)cc1
InChIInChI=1S/C18H31N3/c1-4-21(5-2)15-17-8-6-16(7-9-17)14-19-18-10-12-20(3)13-11-18/h6-9,18-19H,4-5,10-15H2,1-3H3
InChIKeyIWMBKOQAWGOUIR-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.71
Rot. Bonds7

About N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine

N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine (PubChem CID 28680147) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
PubChem CID28680147
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
SMILESCCN(CC)Cc1ccc(CNC2CCN(C)CC2)cc1
InChIInChI=1S/C18H31N3/c1-4-21(5-2)15-17-8-6-16(7-9-17)14-19-18-10-12-20(3)13-11-18/h6-9,18-19H,4-5,10-15H2,1-3H3
InChIKeyIWMBKOQAWGOUIR-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine
CID 43608548
N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 115213157
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride
CID 126650805
N-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62421784
1-methyl-N-[(4-trimethylsilylphenyl)methyl]piperidin-4-amine
CID 103437564
1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine
CID 43215927
N-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 43280922
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409
N-[[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62420492
N-[[4-(dimethylamino)phenyl]methyl]-1-methylazepan-4-amine
CID 65071147
N-[[4-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylcyclopentan-1-amine
CID 80679484

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine (CID 28680147) is N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine is CCN(CC)Cc1ccc(CNC2CCN(C)CC2)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine?
The InChIKey is IWMBKOQAWGOUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-21(5-2)15-17-8-6-16(7-9-17)14-19-18-10-12-20(3)13-11-18/h6-9,18-19H,4-5,10-15H2,1-3H3.
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine?
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine has a molecular weight of 289.47 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 28680147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).