1-[4-(dimethylamino)butyl]-2,3-dimethyl-N-propylpiperidin-4-amine

C16H35N3 — CID 79406875

IUPAC1-[4-(dimethylamino)butyl]-2,3-dimethyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CCCCN(C)C)C(C)C1C
InChIInChI=1S/C16H35N3/c1-6-10-17-16-9-13-19(15(3)14(16)2)12-8-7-11-18(4)5/h14-17H,6-13H2,1-5H3
InChIKeyBLTWPSBFAPJTLF-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.43
Rot. Bonds8

About 1-[4-(dimethylamino)butyl]-2,3-dimethyl-N-propylpiperidin-4-amine

1-[4-(dimethylamino)butyl]-2,3-dimethyl-N-propylpiperidin-4-amine (PubChem CID 79406875) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 1-[4-(dimethylamino)butyl]-2,3-dimethyl-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-[4-(dimethylamino)butyl]-2,3-dimethyl-N-propylpiperidin-4-amine
PubChem CID79406875
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name1-[4-(dimethylamino)butyl]-2,3-dimethyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CCCCN(C)C)C(C)C1C
InChIInChI=1S/C16H35N3/c1-6-10-17-16-9-13-19(15(3)14(16)2)12-8-7-11-18(4)5/h14-17H,6-13H2,1-5H3
InChIKeyBLTWPSBFAPJTLF-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(dimethylamino)propyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397146
1-(3-methoxypropyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397144
2,3-dimethyl-N-propyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 79406592
2,3-dimethyl-N-propyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine
CID 106325781
2,3-dimethyl-1-(2-phenylethyl)-N-propylpiperidin-4-amine
CID 79398266
1-[(4-ethylcyclohexyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79413433
2,3-dimethyl-1-(2-prop-2-enylsulfanylethyl)-N-propylpiperidin-4-amine
CID 106429737
2,3-dimethyl-1-[(1-methylpiperidin-2-yl)methyl]-N-propylpiperidin-4-amine
CID 79407138
2,3-dimethyl-1-(2-methylsulfanylpropyl)-N-propylpiperidin-4-amine
CID 113466578
1-[2-(dimethylamino)ethyl]-3-methyl-N-propylpiperidin-4-amine
CID 114499538
1-[(2-ethylphenyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79413586
N-ethyl-2,3-dimethyl-1-(3-methylsulfonylpropyl)piperidin-4-amine
CID 79407263

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)butyl]-2,3-dimethyl-N-propylpiperidin-4-amine?
The IUPAC name of 1-[4-(dimethylamino)butyl]-2,3-dimethyl-N-propylpiperidin-4-amine (CID 79406875) is 1-[4-(dimethylamino)butyl]-2,3-dimethyl-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-[4-(dimethylamino)butyl]-2,3-dimethyl-N-propylpiperidin-4-amine?
The canonical SMILES for 1-[4-(dimethylamino)butyl]-2,3-dimethyl-N-propylpiperidin-4-amine is CCCNC1CCN(CCCCN(C)C)C(C)C1C.
What is the InChIKey of 1-[4-(dimethylamino)butyl]-2,3-dimethyl-N-propylpiperidin-4-amine?
The InChIKey is BLTWPSBFAPJTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-6-10-17-16-9-13-19(15(3)14(16)2)12-8-7-11-18(4)5/h14-17H,6-13H2,1-5H3.
What are the key properties of 1-[4-(dimethylamino)butyl]-2,3-dimethyl-N-propylpiperidin-4-amine?
1-[4-(dimethylamino)butyl]-2,3-dimethyl-N-propylpiperidin-4-amine has a molecular weight of 269.48 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)butyl]-2,3-dimethyl-N-propylpiperidin-4-amine is sourced from PubChem (CID 79406875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).