6-[4-(methoxymethyl)piperidin-1-yl]-N-methylhexan-2-amine

C14H30N2O — CID 63973848

IUPAC6-[4-(methoxymethyl)piperidin-1-yl]-N-methylhexan-2-amine
SMILESCNC(C)CCCCN1CCC(COC)CC1
InChIInChI=1S/C14H30N2O/c1-13(15-2)6-4-5-9-16-10-7-14(8-11-16)12-17-3/h13-15H,4-12H2,1-3H3
InChIKeyPLRQFVMCFJWUIU-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds8

About 6-[4-(methoxymethyl)piperidin-1-yl]-N-methylhexan-2-amine

6-[4-(methoxymethyl)piperidin-1-yl]-N-methylhexan-2-amine (PubChem CID 63973848) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 6-[4-(methoxymethyl)piperidin-1-yl]-N-methylhexan-2-amine.

Molecular Properties

Compound Name6-[4-(methoxymethyl)piperidin-1-yl]-N-methylhexan-2-amine
PubChem CID63973848
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name6-[4-(methoxymethyl)piperidin-1-yl]-N-methylhexan-2-amine
SMILESCNC(C)CCCCN1CCC(COC)CC1
InChIInChI=1S/C14H30N2O/c1-13(15-2)6-4-5-9-16-10-7-14(8-11-16)12-17-3/h13-15H,4-12H2,1-3H3
InChIKeyPLRQFVMCFJWUIU-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbutan-2-amine
CID 64568719
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine
CID 64570092
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-ol
CID 64597053
4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutan-1-amine
CID 81080497
N-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine
CID 63977571
5-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64570689
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine
CID 64570291
methyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 63971806
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylhexan-2-amine
CID 62886982
7-[3-(methoxymethyl)pyrrolidin-1-yl]heptan-1-amine
CID 64599167
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103737990
ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 63972958

Frequently Asked Questions

What is the IUPAC name of 6-[4-(methoxymethyl)piperidin-1-yl]-N-methylhexan-2-amine?
The IUPAC name of 6-[4-(methoxymethyl)piperidin-1-yl]-N-methylhexan-2-amine (CID 63973848) is 6-[4-(methoxymethyl)piperidin-1-yl]-N-methylhexan-2-amine.
What is the SMILES notation for 6-[4-(methoxymethyl)piperidin-1-yl]-N-methylhexan-2-amine?
The canonical SMILES for 6-[4-(methoxymethyl)piperidin-1-yl]-N-methylhexan-2-amine is CNC(C)CCCCN1CCC(COC)CC1.
What is the InChIKey of 6-[4-(methoxymethyl)piperidin-1-yl]-N-methylhexan-2-amine?
The InChIKey is PLRQFVMCFJWUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(15-2)6-4-5-9-16-10-7-14(8-11-16)12-17-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 6-[4-(methoxymethyl)piperidin-1-yl]-N-methylhexan-2-amine?
6-[4-(methoxymethyl)piperidin-1-yl]-N-methylhexan-2-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methoxymethyl)piperidin-1-yl]-N-methylhexan-2-amine is sourced from PubChem (CID 63973848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).