N-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine

C16H35N3 — CID 63852890

IUPACN-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCN(CCN(CC)CC)C1
InChIInChI=1S/C16H35N3/c1-5-10-17-15(4)16-9-8-11-19(14-16)13-12-18(6-2)7-3/h15-17H,5-14H2,1-4H3
InChIKeyRNDUPVLREAUVIR-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.43
Rot. Bonds9

About N-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine

N-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine (PubChem CID 63852890) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine
PubChem CID63852890
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCN(CCN(CC)CC)C1
InChIInChI=1S/C16H35N3/c1-5-10-17-15(4)16-9-8-11-19(14-16)13-12-18(6-2)7-3/h15-17H,5-14H2,1-4H3
InChIKeyRNDUPVLREAUVIR-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

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Related Compounds

N-[1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethyl]propan-1-amine
CID 55258766
N-[1-(1-propylpiperidin-3-yl)ethyl]pentan-1-amine
CID 43307476
1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine
CID 63854459
N-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine
CID 63854116
5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine
CID 115325204
3-[1-[2-(diethylamino)ethyl]piperidin-3-yl]butanoic acid
CID 81047036
3-propan-2-yloxy-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-1-amine
CID 43308556
N-ethyl-1-(1-pentylpiperidin-3-yl)ethanamine
CID 63852706
2-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63852717
N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]acetamide
CID 63853783
N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine
CID 115566809
N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 43307897

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine (CID 63852890) is N-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine is CCCNC(C)C1CCCN(CCN(CC)CC)C1.
What is the InChIKey of N-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine?
The InChIKey is RNDUPVLREAUVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-5-10-17-15(4)16-9-8-11-19(14-16)13-12-18(6-2)7-3/h15-17H,5-14H2,1-4H3.
What are the key properties of N-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine?
N-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine is sourced from PubChem (CID 63852890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).