N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine

C13H22N2O — CID 61421310

IUPACN-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccco1)CC1CCNCC1
InChIInChI=1S/C13H22N2O/c1-2-15(11-13-4-3-9-16-13)10-12-5-7-14-8-6-12/h3-4,9,12,14H,2,5-8,10-11H2,1H3
InChIKeyBWAYLAKOMBYDAQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.10
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine

N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 61421310) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID61421310
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccco1)CC1CCNCC1
InChIInChI=1S/C13H22N2O/c1-2-15(11-13-4-3-9-16-13)10-12-5-7-14-8-6-12/h3-4,9,12,14H,2,5-8,10-11H2,1H3
InChIKeyBWAYLAKOMBYDAQ-UHFFFAOYSA-N
XLogP2.10
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 16768453
N-[(1-ethylpyrrolidin-3-yl)methyl]-N-(furan-2-ylmethyl)ethanamine
CID 50985473
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79716550
4-(furan-2-ylmethyl)piperidine
CID 83480581
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715751
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715678
N-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715535
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
N-[(2-cyclopropylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79982309
N-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 120858313
N-(furan-2-ylmethyl)-N-methylazepan-4-amine
CID 63902730
N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715386

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine (CID 61421310) is N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine is CCN(Cc1ccco1)CC1CCNCC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is BWAYLAKOMBYDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-15(11-13-4-3-9-16-13)10-12-5-7-14-8-6-12/h3-4,9,12,14H,2,5-8,10-11H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine?
N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 61421310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).