N,1-dimethyl-N-[(3-morpholin-4-ylpiperidin-4-yl)methyl]piperidin-4-amine

C17H34N4O — CID 82564905

IUPACN,1-dimethyl-N-[(3-morpholin-4-ylpiperidin-4-yl)methyl]piperidin-4-amine
SMILESCN1CCC(N(C)CC2CCNCC2N2CCOCC2)CC1
InChIInChI=1S/C17H34N4O/c1-19-7-4-16(5-8-19)20(2)14-15-3-6-18-13-17(15)21-9-11-22-12-10-21/h15-18H,3-14H2,1-2H3
InChIKeyQGUAULJTHRDIDA-UHFFFAOYSA-N
MW310.49 g/mol
LogP0.32
Rot. Bonds4

About N,1-dimethyl-N-[(3-morpholin-4-ylpiperidin-4-yl)methyl]piperidin-4-amine

N,1-dimethyl-N-[(3-morpholin-4-ylpiperidin-4-yl)methyl]piperidin-4-amine (PubChem CID 82564905) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is N,1-dimethyl-N-[(3-morpholin-4-ylpiperidin-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[(3-morpholin-4-ylpiperidin-4-yl)methyl]piperidin-4-amine
PubChem CID82564905
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC NameN,1-dimethyl-N-[(3-morpholin-4-ylpiperidin-4-yl)methyl]piperidin-4-amine
SMILESCN1CCC(N(C)CC2CCNCC2N2CCOCC2)CC1
InChIInChI=1S/C17H34N4O/c1-19-7-4-16(5-8-19)20(2)14-15-3-6-18-13-17(15)21-9-11-22-12-10-21/h15-18H,3-14H2,1-2H3
InChIKeyQGUAULJTHRDIDA-UHFFFAOYSA-N
XLogP0.32
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(3-morpholin-4-ylpiperidin-4-yl)methyl]piperidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[(3-morpholin-4-ylpiperidin-4-yl)methyl]piperidin-4-amine (CID 82564905) is N,1-dimethyl-N-[(3-morpholin-4-ylpiperidin-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[(3-morpholin-4-ylpiperidin-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[(3-morpholin-4-ylpiperidin-4-yl)methyl]piperidin-4-amine is CN1CCC(N(C)CC2CCNCC2N2CCOCC2)CC1.
What is the InChIKey of N,1-dimethyl-N-[(3-morpholin-4-ylpiperidin-4-yl)methyl]piperidin-4-amine?
The InChIKey is QGUAULJTHRDIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-19-7-4-16(5-8-19)20(2)14-15-3-6-18-13-17(15)21-9-11-22-12-10-21/h15-18H,3-14H2,1-2H3.
What are the key properties of N,1-dimethyl-N-[(3-morpholin-4-ylpiperidin-4-yl)methyl]piperidin-4-amine?
N,1-dimethyl-N-[(3-morpholin-4-ylpiperidin-4-yl)methyl]piperidin-4-amine has a molecular weight of 310.49 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(3-morpholin-4-ylpiperidin-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 82564905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).