N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpiperidin-4-amine

C13H26N2O — CID 115718324

IUPACN-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NCCOCC1CC1
InChIInChI=1S/C13H26N2O/c1-11-9-15(2)7-5-13(11)14-6-8-16-10-12-3-4-12/h11-14H,3-10H2,1-2H3
InChIKeyHHFZKLQRERWFRE-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.34
Rot. Bonds6

About N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpiperidin-4-amine

N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpiperidin-4-amine (PubChem CID 115718324) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpiperidin-4-amine
PubChem CID115718324
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NCCOCC1CC1
InChIInChI=1S/C13H26N2O/c1-11-9-15(2)7-5-13(11)14-6-8-16-10-12-3-4-12/h11-14H,3-10H2,1-2H3
InChIKeyHHFZKLQRERWFRE-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.34
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

N-(2-butoxyethyl)-1,3-dimethylpiperidin-4-amine
CID 115714557
1,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidin-4-amine
CID 104584715
N-[2-(cyclopropylmethoxy)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 104531141
2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol
CID 115707421
1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine
CID 115705278
N-[2-(4-bromophenoxy)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115888957
N-(2,2-dimethoxyethyl)-1,3-dimethylpiperidin-4-amine
CID 114503218
4-[(1,3-dimethylpiperidin-4-yl)amino]butanoic acid
CID 114503544
1-methyl-4-[(1-methylpiperidin-4-yl)methoxymethyl]piperidine
CID 142760200
1,3-dimethyl-N-(2-methylidenebutyl)piperidin-4-amine
CID 114503399
N-(2-tert-butylsulfonylethyl)-1,3-dimethylpiperidin-4-amine
CID 103902206
2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115707984

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpiperidin-4-amine (CID 115718324) is N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpiperidin-4-amine is CC1CN(C)CCC1NCCOCC1CC1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpiperidin-4-amine?
The InChIKey is HHFZKLQRERWFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-9-15(2)7-5-13(11)14-6-8-16-10-12-3-4-12/h11-14H,3-10H2,1-2H3.
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpiperidin-4-amine?
N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpiperidin-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 115718324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).