N-butyl-N-methylpiperidin-4-amine;dihydrochloride

C10H24Cl2N2 — CID 53410849

IUPACN-butyl-N-methylpiperidin-4-amine;dihydrochloride
SMILESCCCCN(C)C1CCNCC1.Cl.Cl
InChIInChI=1S/C10H22N2.2ClH/c1-3-4-9-12(2)10-5-7-11-8-6-10;;/h10-11H,3-9H2,1-2H3;2*1H
InChIKeyTZFJWPCNYHVPIM-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.31
Rot. Bonds4

About N-butyl-N-methylpiperidin-4-amine;dihydrochloride

N-butyl-N-methylpiperidin-4-amine;dihydrochloride (PubChem CID 53410849) has the molecular formula C10H24Cl2N2 and a molecular weight of 243.22 g/mol. Its IUPAC name is N-butyl-N-methylpiperidin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-butyl-N-methylpiperidin-4-amine;dihydrochloride
PubChem CID53410849
Molecular FormulaC10H24Cl2N2
Molecular Weight243.22 g/mol
Exact Mass242.13
IUPAC NameN-butyl-N-methylpiperidin-4-amine;dihydrochloride
SMILESCCCCN(C)C1CCNCC1.Cl.Cl
InChIInChI=1S/C10H22N2.2ClH/c1-3-4-9-12(2)10-5-7-11-8-6-10;;/h10-11H,3-9H2,1-2H3;2*1H
InChIKeyTZFJWPCNYHVPIM-UHFFFAOYSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride
CID 18770418
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine
CID 104565100
3-[methyl(piperidin-4-yl)amino]propan-1-ol
CID 12019499
N-butyl-N-methylcyclohexanamine;hydrochloride
CID 174640226
N-methyl-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 115514843
butane;ethane;N-(2-methoxyethyl)-N-methylpiperidin-4-amine
CID 144963014
N-methyl-N-pentylcyclobutanamine
CID 142562644
N-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 64567145
N,4-dimethyl-N-(3-piperidin-4-ylpropyl)cyclohexan-1-amine
CID 62212511
N-butyl-1-iodo-N-methylpiperidin-4-amine
CID 155472460
N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane
CID 155582825
N-methyl-N-(3-methylpentyl)piperidin-4-amine
CID 139366215

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylpiperidin-4-amine;dihydrochloride?
The IUPAC name of N-butyl-N-methylpiperidin-4-amine;dihydrochloride (CID 53410849) is N-butyl-N-methylpiperidin-4-amine;dihydrochloride.
What is the SMILES notation for N-butyl-N-methylpiperidin-4-amine;dihydrochloride?
The canonical SMILES for N-butyl-N-methylpiperidin-4-amine;dihydrochloride is CCCCN(C)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-butyl-N-methylpiperidin-4-amine;dihydrochloride?
The InChIKey is TZFJWPCNYHVPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.2ClH/c1-3-4-9-12(2)10-5-7-11-8-6-10;;/h10-11H,3-9H2,1-2H3;2*1H.
What are the key properties of N-butyl-N-methylpiperidin-4-amine;dihydrochloride?
N-butyl-N-methylpiperidin-4-amine;dihydrochloride has a molecular weight of 243.22 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylpiperidin-4-amine;dihydrochloride is sourced from PubChem (CID 53410849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).