(3R,4R)-4-methyl-1-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol

C16H26N2O2 — CID 87053291

IUPAC(3R,4R)-4-methyl-1-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol
SMILESCc1ccc(CN2CC[C@@](C)(O)[C@H](N3CCCC3)C2)o1
InChIInChI=1S/C16H26N2O2/c1-13-5-6-14(20-13)11-17-10-7-16(2,19)15(12-17)18-8-3-4-9-18/h5-6,15,19H,3-4,7-12H2,1-2H3/t15-,16-/m1/s1
InChIKeyPPZMJKYGYHQAIE-HZPDHXFCSA-N
MW278.40 g/mol
LogP2.01
Rot. Bonds3

About (3R,4R)-4-methyl-1-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol

(3R,4R)-4-methyl-1-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol (PubChem CID 87053291) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (3R,4R)-4-methyl-1-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-4-methyl-1-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol
PubChem CID87053291
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(3R,4R)-4-methyl-1-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol
SMILESCc1ccc(CN2CC[C@@](C)(O)[C@H](N3CCCC3)C2)o1
InChIInChI=1S/C16H26N2O2/c1-13-5-6-14(20-13)11-17-10-7-16(2,19)15(12-17)18-8-3-4-9-18/h5-6,15,19H,3-4,7-12H2,1-2H3/t15-,16-/m1/s1
InChIKeyPPZMJKYGYHQAIE-HZPDHXFCSA-N
XLogP2.01
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-4-methyl-1-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol with MolForge

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Related Compounds

1-[(5-Methyl-2-furanyl)methyl]pyrrolidine
CID 529066
N-Butyl-5-methyl-N-[(5-methyl-2-furanyl)methyl]-2-furanmethanamine
CID 4597757
N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 5217129
N,N-diethyl-N',N'-bis[(5-methylfuran-2-yl)methyl]propane-1,3-diamine
CID 3955702
4-({3-(2-Hydroxyethyl)-4-[(5-methyl-2-furyl)methyl]-1-piperazinyl}methyl)phenol
CID 16187707
2-{Bis[(5-methylfuran-2-yl)methyl]amino}ethanol
CID 3431204
2-{4-[(2E)-3-(2-furyl)-2-methyl-2-propen-1-yl]-1-[(5-methyl-2-furyl)methyl]-2-piperazinyl}ethanol
CID 16190205
2-{4-[(2E)-3-(2-methoxyphenyl)-2-propen-1-yl]-1-[(5-methyl-2-furyl)methyl]-2-piperazinyl}ethanol
CID 16191277
2-{4-(2-Ethoxybenzyl)-1-[(5-methyl-2-furyl)methyl]-2-piperazinyl}ethanol
CID 16191753
2-{1-(4-Ethoxybenzyl)-4-[(5-methyl-2-furyl)methyl]-2-piperazinyl}ethanol
CID 16192023
1-Methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]piperazine
CID 155564287
2-{1-[(5-methyl-2-furyl)methyl]-4-[(2E)-2-methyl-3-phenyl-2-propen-1-yl]-2-piperazinyl}ethanol
CID 16189931

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-1-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol?
The IUPAC name of (3R,4R)-4-methyl-1-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol (CID 87053291) is (3R,4R)-4-methyl-1-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-4-methyl-1-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-4-methyl-1-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol is Cc1ccc(CN2CC[C@@](C)(O)[C@H](N3CCCC3)C2)o1.
What is the InChIKey of (3R,4R)-4-methyl-1-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol?
The InChIKey is PPZMJKYGYHQAIE-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13-5-6-14(20-13)11-17-10-7-16(2,19)15(12-17)18-8-3-4-9-18/h5-6,15,19H,3-4,7-12H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of (3R,4R)-4-methyl-1-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol?
(3R,4R)-4-methyl-1-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol has a molecular weight of 278.40 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-1-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol is sourced from PubChem (CID 87053291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).