N-[1-(2-methoxyethyl)piperidin-4-yl]-N',N'-dipropylethane-1,2-diamine

C16H35N3O — CID 137396264

IUPACN-[1-(2-methoxyethyl)piperidin-4-yl]-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CCNC1CCN(CCOC)CC1
InChIInChI=1S/C16H35N3O/c1-4-9-18(10-5-2)13-8-17-16-6-11-19(12-7-16)14-15-20-3/h16-17H,4-15H2,1-3H3
InChIKeyIPQHWCGQCBOBRH-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.81
Rot. Bonds11

About N-[1-(2-methoxyethyl)piperidin-4-yl]-N',N'-dipropylethane-1,2-diamine

N-[1-(2-methoxyethyl)piperidin-4-yl]-N',N'-dipropylethane-1,2-diamine (PubChem CID 137396264) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)piperidin-4-yl]-N',N'-dipropylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)piperidin-4-yl]-N',N'-dipropylethane-1,2-diamine
PubChem CID137396264
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC NameN-[1-(2-methoxyethyl)piperidin-4-yl]-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CCNC1CCN(CCOC)CC1
InChIInChI=1S/C16H35N3O/c1-4-9-18(10-5-2)13-8-17-16-6-11-19(12-7-16)14-15-20-3/h16-17H,4-15H2,1-3H3
InChIKeyIPQHWCGQCBOBRH-UHFFFAOYSA-N
XLogP1.81
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)piperidin-4-yl]-N',N'-dipropylethane-1,2-diamine?
The IUPAC name of N-[1-(2-methoxyethyl)piperidin-4-yl]-N',N'-dipropylethane-1,2-diamine (CID 137396264) is N-[1-(2-methoxyethyl)piperidin-4-yl]-N',N'-dipropylethane-1,2-diamine.
What is the SMILES notation for N-[1-(2-methoxyethyl)piperidin-4-yl]-N',N'-dipropylethane-1,2-diamine?
The canonical SMILES for N-[1-(2-methoxyethyl)piperidin-4-yl]-N',N'-dipropylethane-1,2-diamine is CCCN(CCC)CCNC1CCN(CCOC)CC1.
What is the InChIKey of N-[1-(2-methoxyethyl)piperidin-4-yl]-N',N'-dipropylethane-1,2-diamine?
The InChIKey is IPQHWCGQCBOBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-4-9-18(10-5-2)13-8-17-16-6-11-19(12-7-16)14-15-20-3/h16-17H,4-15H2,1-3H3.
What are the key properties of N-[1-(2-methoxyethyl)piperidin-4-yl]-N',N'-dipropylethane-1,2-diamine?
N-[1-(2-methoxyethyl)piperidin-4-yl]-N',N'-dipropylethane-1,2-diamine has a molecular weight of 285.48 g/mol, XLogP of 1.81, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)piperidin-4-yl]-N',N'-dipropylethane-1,2-diamine is sourced from PubChem (CID 137396264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).