N-[3-[4-(diethylamino)piperidin-1-yl]propyl]-1-ethyl-N-methylpiperidin-4-amine

C20H42N4 — CID 91493280

IUPACN-[3-[4-(diethylamino)piperidin-1-yl]propyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)CCCN2CCC(N(CC)CC)CC2)CC1
InChIInChI=1S/C20H42N4/c1-5-22-15-9-19(10-16-22)21(4)13-8-14-23-17-11-20(12-18-23)24(6-2)7-3/h19-20H,5-18H2,1-4H3
InChIKeyPGBSJVLZSIHUQM-UHFFFAOYSA-N
MW338.58 g/mol
LogP2.60
Rot. Bonds9

About N-[3-[4-(diethylamino)piperidin-1-yl]propyl]-1-ethyl-N-methylpiperidin-4-amine

N-[3-[4-(diethylamino)piperidin-1-yl]propyl]-1-ethyl-N-methylpiperidin-4-amine (PubChem CID 91493280) has the molecular formula C20H42N4 and a molecular weight of 338.58 g/mol. Its IUPAC name is N-[3-[4-(diethylamino)piperidin-1-yl]propyl]-1-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[3-[4-(diethylamino)piperidin-1-yl]propyl]-1-ethyl-N-methylpiperidin-4-amine
PubChem CID91493280
Molecular FormulaC20H42N4
Molecular Weight338.58 g/mol
Exact Mass338.34
IUPAC NameN-[3-[4-(diethylamino)piperidin-1-yl]propyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)CCCN2CCC(N(CC)CC)CC2)CC1
InChIInChI=1S/C20H42N4/c1-5-22-15-9-19(10-16-22)21(4)13-8-14-23-17-11-20(12-18-23)24(6-2)7-3/h19-20H,5-18H2,1-4H3
InChIKeyPGBSJVLZSIHUQM-UHFFFAOYSA-N
XLogP2.60
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(diethylamino)piperidin-1-yl]propyl]-1-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of N-[3-[4-(diethylamino)piperidin-1-yl]propyl]-1-ethyl-N-methylpiperidin-4-amine (CID 91493280) is N-[3-[4-(diethylamino)piperidin-1-yl]propyl]-1-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[3-[4-(diethylamino)piperidin-1-yl]propyl]-1-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-[3-[4-(diethylamino)piperidin-1-yl]propyl]-1-ethyl-N-methylpiperidin-4-amine is CCN1CCC(N(C)CCCN2CCC(N(CC)CC)CC2)CC1.
What is the InChIKey of N-[3-[4-(diethylamino)piperidin-1-yl]propyl]-1-ethyl-N-methylpiperidin-4-amine?
The InChIKey is PGBSJVLZSIHUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N4/c1-5-22-15-9-19(10-16-22)21(4)13-8-14-23-17-11-20(12-18-23)24(6-2)7-3/h19-20H,5-18H2,1-4H3.
What are the key properties of N-[3-[4-(diethylamino)piperidin-1-yl]propyl]-1-ethyl-N-methylpiperidin-4-amine?
N-[3-[4-(diethylamino)piperidin-1-yl]propyl]-1-ethyl-N-methylpiperidin-4-amine has a molecular weight of 338.58 g/mol, XLogP of 2.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(diethylamino)piperidin-1-yl]propyl]-1-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 91493280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).