N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-1-(oxolan-2-yl)ethanamine

C16H33N3O — CID 62556029

IUPACN-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCCN1CCC(CN(C)C)CC1)C1CCCO1
InChIInChI=1S/C16H33N3O/c1-14(16-5-4-12-20-16)17-8-11-19-9-6-15(7-10-19)13-18(2)3/h14-17H,4-13H2,1-3H3
InChIKeyKRJPADVDWPGJFX-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.42
Rot. Bonds7

About N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-1-(oxolan-2-yl)ethanamine

N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 62556029) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-1-(oxolan-2-yl)ethanamine
PubChem CID62556029
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCCN1CCC(CN(C)C)CC1)C1CCCO1
InChIInChI=1S/C16H33N3O/c1-14(16-5-4-12-20-16)17-8-11-19-9-6-15(7-10-19)13-18(2)3/h14-17H,4-13H2,1-3H3
InChIKeyKRJPADVDWPGJFX-UHFFFAOYSA-N
XLogP1.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-1-(oxolan-2-yl)ethanamine (CID 62556029) is N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-1-(oxolan-2-yl)ethanamine is CC(NCCN1CCC(CN(C)C)CC1)C1CCCO1.
What is the InChIKey of N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is KRJPADVDWPGJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-14(16-5-4-12-20-16)17-8-11-19-9-6-15(7-10-19)13-18(2)3/h14-17H,4-13H2,1-3H3.
What are the key properties of N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-1-(oxolan-2-yl)ethanamine?
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 283.46 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 62556029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).