N-[[4-(dimethylamino)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine

C17H29N3 — CID 28716391

IUPACN-[[4-(dimethylamino)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NCc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C17H29N3/c1-14(2)20-11-9-16(10-12-20)18-13-15-5-7-17(8-6-15)19(3)4/h5-8,14,16,18H,9-13H2,1-4H3
InChIKeyQAFBBMRATMCNCF-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.71
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine

N-[[4-(dimethylamino)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 28716391) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID28716391
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NCc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C17H29N3/c1-14(2)20-11-9-16(10-12-20)18-13-15-5-7-17(8-6-15)19(3)4/h5-8,14,16,18H,9-13H2,1-4H3
InChIKeyQAFBBMRATMCNCF-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.71
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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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine (CID 28716391) is N-[[4-(dimethylamino)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(NCc2ccc(N(C)C)cc2)CC1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is QAFBBMRATMCNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-14(2)20-11-9-16(10-12-20)18-13-15-5-7-17(8-6-15)19(3)4/h5-8,14,16,18H,9-13H2,1-4H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine?
N-[[4-(dimethylamino)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 275.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 28716391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).