(3R)-N,N-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-3-amine

C15H26N2O — CID 99946183

IUPAC(3R)-N,N-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-3-amine
SMILESCCCc1ccc(CN2CCC[C@@H](N(C)C)C2)o1
InChIInChI=1S/C15H26N2O/c1-4-6-14-8-9-15(18-14)12-17-10-5-7-13(11-17)16(2)3/h8-9,13H,4-7,10-12H2,1-3H3/t13-/m1/s1
InChIKeyZACBQMHEMLQSBF-CYBMUJFWSA-N
MW250.39 g/mol
LogP2.76
Rot. Bonds5

About (3R)-N,N-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-3-amine

(3R)-N,N-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-3-amine (PubChem CID 99946183) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-3-amine
PubChem CID99946183
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(3R)-N,N-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-3-amine
SMILESCCCc1ccc(CN2CCC[C@@H](N(C)C)C2)o1
InChIInChI=1S/C15H26N2O/c1-4-6-14-8-9-15(18-14)12-17-10-5-7-13(11-17)16(2)3/h8-9,13H,4-7,10-12H2,1-3H3/t13-/m1/s1
InChIKeyZACBQMHEMLQSBF-CYBMUJFWSA-N
XLogP2.76
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-(hydroxymethyl)-1-[(5-propylfuran-2-yl)methyl]piperidin-3-ol
CID 133125674
4-ethyl-2-methyl-5-[1-[(5-propylfuran-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-one
CID 56710617
1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62432459
N,N-dimethyl-1-[4-[(5-propylfuran-2-yl)methyl]-1,4-oxazepan-6-yl]methanamine
CID 56914710
(3R)-1-ethyl-N,N-dimethylpiperidin-3-amine
CID 95912118
[4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 56897720
(9aS)-2-[(5-ethylfuran-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 77093175
6-[[3-(dimethylamino)piperidin-1-yl]methyl]-N-ethylpyridin-2-amine
CID 79234659
[5-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62438530
2-chloro-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-2-yl]benzoic acid
CID 77081374
[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol
CID 112548894
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N-dimethylpiperidin-3-amine
CID 79764841

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-3-amine?
The IUPAC name of (3R)-N,N-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-3-amine (CID 99946183) is (3R)-N,N-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (3R)-N,N-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3R)-N,N-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-3-amine is CCCc1ccc(CN2CCC[C@@H](N(C)C)C2)o1.
What is the InChIKey of (3R)-N,N-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-3-amine?
The InChIKey is ZACBQMHEMLQSBF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-6-14-8-9-15(18-14)12-17-10-5-7-13(11-17)16(2)3/h8-9,13H,4-7,10-12H2,1-3H3/t13-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-3-amine?
(3R)-N,N-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-3-amine has a molecular weight of 250.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 99946183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).