N,1-dimethyl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]piperidin-4-amine

C18H36N4O — CID 91213420

IUPACN,1-dimethyl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]piperidin-4-amine
SMILESCN1CCC(N(C)CCN2CCC(N3CCOCC3)CC2)CC1
InChIInChI=1S/C18H36N4O/c1-19-7-3-17(4-8-19)20(2)11-12-21-9-5-18(6-10-21)22-13-15-23-16-14-22/h17-18H,3-16H2,1-2H3
InChIKeyJAJPHTNPSSEIFU-UHFFFAOYSA-N
MW324.51 g/mol
LogP0.81
Rot. Bonds5

About N,1-dimethyl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]piperidin-4-amine

N,1-dimethyl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]piperidin-4-amine (PubChem CID 91213420) has the molecular formula C18H36N4O and a molecular weight of 324.51 g/mol. Its IUPAC name is N,1-dimethyl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]piperidin-4-amine
PubChem CID91213420
Molecular FormulaC18H36N4O
Molecular Weight324.51 g/mol
Exact Mass324.29
IUPAC NameN,1-dimethyl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]piperidin-4-amine
SMILESCN1CCC(N(C)CCN2CCC(N3CCOCC3)CC2)CC1
InChIInChI=1S/C18H36N4O/c1-19-7-3-17(4-8-19)20(2)11-12-21-9-5-18(6-10-21)22-13-15-23-16-14-22/h17-18H,3-16H2,1-2H3
InChIKeyJAJPHTNPSSEIFU-UHFFFAOYSA-N
XLogP0.81
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]piperidin-4-amine (CID 91213420) is N,1-dimethyl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]piperidin-4-amine is CN1CCC(N(C)CCN2CCC(N3CCOCC3)CC2)CC1.
What is the InChIKey of N,1-dimethyl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]piperidin-4-amine?
The InChIKey is JAJPHTNPSSEIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O/c1-19-7-3-17(4-8-19)20(2)11-12-21-9-5-18(6-10-21)22-13-15-23-16-14-22/h17-18H,3-16H2,1-2H3.
What are the key properties of N,1-dimethyl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]piperidin-4-amine?
N,1-dimethyl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]piperidin-4-amine has a molecular weight of 324.51 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 91213420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).