N-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine

C14H29N3O — CID 62386119

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCN1CCC(N(C)C(CN)C2CCOCC2)CC1
InChIInChI=1S/C14H29N3O/c1-16-7-3-13(4-8-16)17(2)14(11-15)12-5-9-18-10-6-12/h12-14H,3-11,15H2,1-2H3
InChIKeyHCPWLWPWYWKFHH-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.77
Rot. Bonds4

About N-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine

N-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 62386119) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine
PubChem CID62386119
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCN1CCC(N(C)C(CN)C2CCOCC2)CC1
InChIInChI=1S/C14H29N3O/c1-16-7-3-13(4-8-16)17(2)14(11-15)12-5-9-18-10-6-12/h12-14H,3-11,15H2,1-2H3
InChIKeyHCPWLWPWYWKFHH-UHFFFAOYSA-N
XLogP0.77
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine (CID 62386119) is N-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine is CN1CCC(N(C)C(CN)C2CCOCC2)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is HCPWLWPWYWKFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-16-7-3-13(4-8-16)17(2)14(11-15)12-5-9-18-10-6-12/h12-14H,3-11,15H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine?
N-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 255.41 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 62386119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).