N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine

C12H26N2 — CID 16768057

IUPACN-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CC1CCNCC1)C(C)C
InChIInChI=1S/C12H26N2/c1-10(2)14(11(3)4)9-12-5-7-13-8-6-12/h10-13H,5-9H2,1-4H3
InChIKeyHXDKSWBBVSJQDI-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.10
Rot. Bonds4

About N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine

N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine (PubChem CID 16768057) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
PubChem CID16768057
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CC1CCNCC1)C(C)C
InChIInChI=1S/C12H26N2/c1-10(2)14(11(3)4)9-12-5-7-13-8-6-12/h10-13H,5-9H2,1-4H3
InChIKeyHXDKSWBBVSJQDI-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine
CID 79715856
N-(piperidin-4-ylmethyl)-N-propan-2-ylbut-3-en-2-amine
CID 79714489
N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715924
ethyl 3-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate
CID 79715051
1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 114832441
ethyl 2-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate
CID 79714662
N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride
CID 119932017
N-[1-(2,4-dimethylphenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698904
N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide
CID 79717302
(2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol
CID 106933609
N,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine
CID 43570215
1-morpholin-4-yl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-1-one
CID 79705244

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine (CID 16768057) is N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine is CC(C)N(CC1CCNCC1)C(C)C.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is HXDKSWBBVSJQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)14(11(3)4)9-12-5-7-13-8-6-12/h10-13H,5-9H2,1-4H3.
What are the key properties of N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine?
N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 16768057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).