N-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine

C17H27N3 — CID 43280922

IUPACN-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)c2ccc(CNC3CC3)cc2)CC1
InChIInChI=1S/C17H27N3/c1-19-11-9-17(10-12-19)20(2)16-7-3-14(4-8-16)13-18-15-5-6-15/h3-4,7-8,15,17-18H,5-6,9-13H2,1-2H3
InChIKeyRZSNHRKNXYERLW-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.47
Rot. Bonds5

About N-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine

N-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 43280922) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
PubChem CID43280922
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)c2ccc(CNC3CC3)cc2)CC1
InChIInChI=1S/C17H27N3/c1-19-11-9-17(10-12-19)20(2)16-7-3-14(4-8-16)13-18-15-5-6-15/h3-4,7-8,15,17-18H,5-6,9-13H2,1-2H3
InChIKeyRZSNHRKNXYERLW-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-1-methylazepan-4-amine
CID 65071147
N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 115213157
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 28680147
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride
CID 126650805
1-methyl-N-[(4-trimethylsilylphenyl)methyl]piperidin-4-amine
CID 103437564
1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine
CID 43215927
1-N,4-N-dimethyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine
CID 117041410
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409
4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol
CID 43178531
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methylpropyl)aniline
CID 55002084
N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423916

Frequently Asked Questions

What is the IUPAC name of N-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine (CID 43280922) is N-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)c2ccc(CNC3CC3)cc2)CC1.
What is the InChIKey of N-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is RZSNHRKNXYERLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-19-11-9-17(10-12-19)20(2)16-7-3-14(4-8-16)13-18-15-5-6-15/h3-4,7-8,15,17-18H,5-6,9-13H2,1-2H3.
What are the key properties of N-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine?
N-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 273.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 43280922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).