N,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine

C12H26N2 — CID 43570215

IUPACN,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine
SMILESCC(C)C(C)N(C)CC1CCNCC1
InChIInChI=1S/C12H26N2/c1-10(2)11(3)14(4)9-12-5-7-13-8-6-12/h10-13H,5-9H2,1-4H3
InChIKeyQDNZECNNWAMFRT-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.96
Rot. Bonds4

About N,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine

N,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine (PubChem CID 43570215) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine
PubChem CID43570215
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine
SMILESCC(C)C(C)N(C)CC1CCNCC1
InChIInChI=1S/C12H26N2/c1-10(2)11(3)14(4)9-12-5-7-13-8-6-12/h10-13H,5-9H2,1-4H3
InChIKeyQDNZECNNWAMFRT-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-N-(piperidin-4-ylmethyl)pentan-3-amine
CID 79707694
(1S)-1-cyclohexyl-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 120848749
N-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine
CID 80558048
N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 16768057
N,N-dimethyl-1-piperidin-4-ylmethanamine;dihydrochloride
CID 23153381
N-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine
CID 130458996
azane;N,N-dimethyl-1-piperidin-4-ylmethanamine
CID 175907731
(2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol
CID 106933609
N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide
CID 79717302
2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 79716618
1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine
CID 103815876
N-methyl-N-(3-methylbutan-2-yl)-2-piperidin-4-ylethanesulfonamide
CID 60890770

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine?
The IUPAC name of N,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine (CID 43570215) is N,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine.
What is the SMILES notation for N,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine?
The canonical SMILES for N,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine is CC(C)C(C)N(C)CC1CCNCC1.
What is the InChIKey of N,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine?
The InChIKey is QDNZECNNWAMFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)11(3)14(4)9-12-5-7-13-8-6-12/h10-13H,5-9H2,1-4H3.
What are the key properties of N,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine?
N,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine is sourced from PubChem (CID 43570215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).