1-(furan-2-yl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine

C16H28N2O — CID 79715208

IUPAC1-(furan-2-yl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine
SMILESCCC(c1ccco1)N(CC1CCNCC1)C(C)C
InChIInChI=1S/C16H28N2O/c1-4-15(16-6-5-11-19-16)18(13(2)3)12-14-7-9-17-10-8-14/h5-6,11,13-15,17H,4,7-10,12H2,1-3H3
InChIKeyWMLJNGXAYSVUJC-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.44
Rot. Bonds6

About 1-(furan-2-yl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine

1-(furan-2-yl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine (PubChem CID 79715208) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine
PubChem CID79715208
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(furan-2-yl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine
SMILESCCC(c1ccco1)N(CC1CCNCC1)C(C)C
InChIInChI=1S/C16H28N2O/c1-4-15(16-6-5-11-19-16)18(13(2)3)12-14-7-9-17-10-8-14/h5-6,11,13-15,17H,4,7-10,12H2,1-3H3
InChIKeyWMLJNGXAYSVUJC-UHFFFAOYSA-N
XLogP3.44
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-ylpropan-2-amine
CID 16768057
N-(2-methoxy-1-phenylethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 103465120
N-(cyclopropylmethyl)-1-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604534
1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 114832441
N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 61421310
4-[2-[1-(furan-2-yl)ethoxy]ethyl]piperidine
CID 71638034
N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715924
N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 16768453
N-ethyl-N-(piperidin-4-ylmethyl)furan-2-carboxamide
CID 79720984
(1R)-1-(furan-2-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]ethanamine
CID 97162320
N-ethyl-3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 79720544

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 1-(furan-2-yl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine (CID 79715208) is 1-(furan-2-yl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 1-(furan-2-yl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine is CCC(c1ccco1)N(CC1CCNCC1)C(C)C.
What is the InChIKey of 1-(furan-2-yl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is WMLJNGXAYSVUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-15(16-6-5-11-19-16)18(13(2)3)12-14-7-9-17-10-8-14/h5-6,11,13-15,17H,4,7-10,12H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine?
1-(furan-2-yl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79715208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).