N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine

C12H20N2O — CID 16768453

IUPACN-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
SMILESCN(Cc1ccco1)CC1CCNCC1
InChIInChI=1S/C12H20N2O/c1-14(10-12-3-2-8-15-12)9-11-4-6-13-7-5-11/h2-3,8,11,13H,4-7,9-10H2,1H3
InChIKeyUNWDDKJMVFGRTP-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.71
Rot. Bonds4

About N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine

N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine (PubChem CID 16768453) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
PubChem CID16768453
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
SMILESCN(Cc1ccco1)CC1CCNCC1
InChIInChI=1S/C12H20N2O/c1-14(10-12-3-2-8-15-12)9-11-4-6-13-7-5-11/h2-3,8,11,13H,4-7,9-10H2,1H3
InChIKeyUNWDDKJMVFGRTP-UHFFFAOYSA-N
XLogP1.71
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 61421310
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 16768485
N-(furan-2-ylmethyl)-N-methylazepan-4-amine
CID 63902730
1-(4-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 114430753
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
4-(furan-2-ylmethyl)piperidine
CID 83480581
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79716596
N-[(3-bromofuran-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 106885993
1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 43527003
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79707515
N-[(5-ethylthiophen-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79708057
N-(furan-2-ylmethyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983188

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine (CID 16768453) is N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine is CN(Cc1ccco1)CC1CCNCC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine?
The InChIKey is UNWDDKJMVFGRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-14(10-12-3-2-8-15-12)9-11-4-6-13-7-5-11/h2-3,8,11,13H,4-7,9-10H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine?
N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine has a molecular weight of 208.31 g/mol, XLogP of 1.71, 4 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-methyl-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 16768453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).