1-[2-(dimethylamino)ethyl]-3-methyl-N-propylpiperidin-4-amine

C13H29N3 — CID 114499538

IUPAC1-[2-(dimethylamino)ethyl]-3-methyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CCN(C)C)CC1C
InChIInChI=1S/C13H29N3/c1-5-7-14-13-6-8-16(11-12(13)2)10-9-15(3)4/h12-14H,5-11H2,1-4H3
InChIKeyIZEGJWNAOQTJDV-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.26
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-methyl-N-propylpiperidin-4-amine

1-[2-(dimethylamino)ethyl]-3-methyl-N-propylpiperidin-4-amine (PubChem CID 114499538) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-methyl-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-methyl-N-propylpiperidin-4-amine
PubChem CID114499538
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-[2-(dimethylamino)ethyl]-3-methyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CCN(C)C)CC1C
InChIInChI=1S/C13H29N3/c1-5-7-14-13-6-8-16(11-12(13)2)10-9-15(3)4/h12-14H,5-11H2,1-4H3
InChIKeyIZEGJWNAOQTJDV-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopentyloxyethyl)-3-methyl-N-propylpiperidin-4-amine
CID 63828595
3-methyl-1-(7-methyloctyl)-N-propylpiperidin-4-amine
CID 107815366
3-methyl-N-propyl-1-(2,3,3-trimethylbutyl)piperidin-4-amine
CID 83143298
N-cyclopropyl-3-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide
CID 114499450
3-methyl-1-[(3-methylcyclopentyl)methyl]-N-propylpiperidin-4-amine
CID 107413462
1-cyclohexyl-3-methyl-N-propylpiperidin-4-amine
CID 54975332
1-[2-(dimethylamino)ethyl]-3-ethyl-N-methylpiperidin-4-amine
CID 114507992
3-[[3-methyl-4-(propylamino)piperidin-1-yl]methyl]phenol
CID 114499438
1-(furan-2-ylmethyl)-3-methyl-N-propylpiperidin-4-amine
CID 54975277
1-[4-(dimethylamino)butyl]-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79406875
3-methyl-1-[(5-methylpyrazin-2-yl)methyl]-N-propylpiperidin-4-amine
CID 62845926
2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone
CID 114498667

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-methyl-N-propylpiperidin-4-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-methyl-N-propylpiperidin-4-amine (CID 114499538) is 1-[2-(dimethylamino)ethyl]-3-methyl-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-methyl-N-propylpiperidin-4-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-methyl-N-propylpiperidin-4-amine is CCCNC1CCN(CCN(C)C)CC1C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-methyl-N-propylpiperidin-4-amine?
The InChIKey is IZEGJWNAOQTJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-7-14-13-6-8-16(11-12(13)2)10-9-15(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-methyl-N-propylpiperidin-4-amine?
1-[2-(dimethylamino)ethyl]-3-methyl-N-propylpiperidin-4-amine has a molecular weight of 227.40 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-methyl-N-propylpiperidin-4-amine is sourced from PubChem (CID 114499538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).