N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-2-amine

C12H26N2O — CID 60852865

IUPACN-[2-(4-methoxypiperidin-1-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCN1CCC(OC)CC1
InChIInChI=1S/C12H26N2O/c1-4-11(2)13-7-10-14-8-5-12(15-3)6-9-14/h11-13H,4-10H2,1-3H3
InChIKeyNOKRYEAQZPQXMU-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds6

About N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-2-amine

N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-2-amine (PubChem CID 60852865) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(4-methoxypiperidin-1-yl)ethyl]butan-2-amine
PubChem CID60852865
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[2-(4-methoxypiperidin-1-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCN1CCC(OC)CC1
InChIInChI=1S/C12H26N2O/c1-4-11(2)13-7-10-14-8-5-12(15-3)6-9-14/h11-13H,4-10H2,1-3H3
InChIKeyNOKRYEAQZPQXMU-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 11492037
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CID 12088093
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CID 21501982
CID 21501982
CID 3153472
CID 3153472
CID 62327575
CID 62327575
CID 61103075
CID 61103075
CID 43346315
CID 43346315
CID 43372742
CID 43372742
CID 43372814
CID 43372814
CID 43373044
CID 43373044
CID 64832331
CID 64832331
CID 137951869
CID 137951869

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-2-amine?
The IUPAC name of N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-2-amine (CID 60852865) is N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-2-amine is CCC(C)NCCN1CCC(OC)CC1.
What is the InChIKey of N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-2-amine?
The InChIKey is NOKRYEAQZPQXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-11(2)13-7-10-14-8-5-12(15-3)6-9-14/h11-13H,4-10H2,1-3H3.
What are the key properties of N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-2-amine?
N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-2-amine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-2-amine is sourced from PubChem (CID 60852865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).