(3S)-spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine

C12H16N2O — CID 155095733

IUPAC(3S)-spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
SMILESN[C@H]1c2ccccc2OC12CCNCC2
InChIInChI=1S/C12H16N2O/c13-11-9-3-1-2-4-10(9)15-12(11)5-7-14-8-6-12/h1-4,11,14H,5-8,13H2/t11-/m0/s1
InChIKeyMYLPHOVHZLLZGY-NSHDSACASA-N
MW204.27 g/mol
LogP1.20
Rot. Bonds

About (3S)-spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine

(3S)-spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine (PubChem CID 155095733) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (3S)-spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine.

Molecular Properties

Compound Name(3S)-spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
PubChem CID155095733
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(3S)-spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
SMILESN[C@H]1c2ccccc2OC12CCNCC2
InChIInChI=1S/C12H16N2O/c13-11-9-3-1-2-4-10(9)15-12(11)5-7-14-8-6-12/h1-4,11,14H,5-8,13H2/t11-/m0/s1
InChIKeyMYLPHOVHZLLZGY-NSHDSACASA-N
XLogP1.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CP-100263
CID 9796216
CP-99994
CID 5311057
4-Phenylspiro[chromene-2,4''-piperidine]
CID 25129089
(2S)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 105083
(2-Isopropoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 10268178
1-(2,3-Dihydro-benzofuran-2-ylmethyl)-piperazine
CID 3159664
(2S,3S)-2-(3,5-ditritiophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 71450958
N-ethyl-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine
CID 20038725
3-Amino-2,3-dihydrobenzofuran
CID 13778152
3,4-Dihydrospiro[1-benzopyran-2,4'-piperidine] hydrochloride
CID 49845502
(E)-2-methyl-1-(3-(piperidin-1-yl)benzofuran-2(3H)-ylidene)propan-2-ol
CID 5389139
N-(2-ethoxybenzyl)-2-(4-morpholinyl)ethanamine dihydrochloride
CID 9551594

Frequently Asked Questions

What is the IUPAC name of (3S)-spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?
The IUPAC name of (3S)-spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine (CID 155095733) is (3S)-spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine.
What is the SMILES notation for (3S)-spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?
The canonical SMILES for (3S)-spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine is N[C@H]1c2ccccc2OC12CCNCC2.
What is the InChIKey of (3S)-spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?
The InChIKey is MYLPHOVHZLLZGY-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N2O/c13-11-9-3-1-2-4-10(9)15-12(11)5-7-14-8-6-12/h1-4,11,14H,5-8,13H2/t11-/m0/s1.
What are the key properties of (3S)-spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?
(3S)-spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine has a molecular weight of 204.27 g/mol, XLogP of 1.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine is sourced from PubChem (CID 155095733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).