3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dipropylpropan-1-amine

C16H35N3 — CID 19846011

IUPAC3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCC1CCN(CCN)CC1
InChIInChI=1S/C16H35N3/c1-3-10-18(11-4-2)12-5-6-16-7-13-19(14-8-16)15-9-17/h16H,3-15,17H2,1-2H3
InChIKeyLQBHAQNUNMIJIW-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.56
Rot. Bonds10

About 3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dipropylpropan-1-amine

3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dipropylpropan-1-amine (PubChem CID 19846011) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dipropylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dipropylpropan-1-amine
PubChem CID19846011
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCC1CCN(CCN)CC1
InChIInChI=1S/C16H35N3/c1-3-10-18(11-4-2)12-5-6-16-7-13-19(14-8-16)15-9-17/h16H,3-15,17H2,1-2H3
InChIKeyLQBHAQNUNMIJIW-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine
CID 19845999
1-[2-(dibutylamino)ethyl]piperidin-4-amine
CID 54459156
N-[2-[3-(2-aminoethyl)pyrrolidin-1-yl]ethyl]-N-ethylpropan-1-amine
CID 83963240
1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine
CID 117038230
4-butyl-1-octylpiperidine
CID 171570418
N'-(2-morpholin-4-ylethyl)-N'-propylpropane-1,3-diamine
CID 43137359
2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine
CID 19846080
ethane;2-(4-methylpiperidin-1-yl)ethanamine
CID 143291209
N-[(1-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine
CID 170705762
1-[2-(4-propylpiperidin-1-yl)ethyl]piperidin-4-amine
CID 79327456
1-(2-bromoethyl)-4-propylpiperidine
CID 62206641
10-cyclohexyl-N,N-dipropyldecan-1-amine;hydrochloride
CID 173360948

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dipropylpropan-1-amine?
The IUPAC name of 3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dipropylpropan-1-amine (CID 19846011) is 3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dipropylpropan-1-amine.
What is the SMILES notation for 3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dipropylpropan-1-amine?
The canonical SMILES for 3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dipropylpropan-1-amine is CCCN(CCC)CCCC1CCN(CCN)CC1.
What is the InChIKey of 3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dipropylpropan-1-amine?
The InChIKey is LQBHAQNUNMIJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-3-10-18(11-4-2)12-5-6-16-7-13-19(14-8-16)15-9-17/h16H,3-15,17H2,1-2H3.
What are the key properties of 3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dipropylpropan-1-amine?
3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dipropylpropan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 2.56, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dipropylpropan-1-amine is sourced from PubChem (CID 19846011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).