2-[(4R)-6-fluoro-2,3,4,9a-tetrahydro-1H-benzo[7]annulen-4-yl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine

C20H29FN2 — CID 163599008

IUPAC2-[(4R)-6-fluoro-2,3,4,9a-tetrahydro-1H-benzo[7]annulen-4-yl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
SMILESFC1=CC=CC2CCC[C@H](C3CC3NCC3CCNCC3)C2=C1
InChIInChI=1S/C20H29FN2/c21-16-5-1-3-15-4-2-6-17(18(15)11-16)19-12-20(19)23-13-14-7-9-22-10-8-14/h1,3,5,11,14-15,17,19-20,22-23H,2,4,6-10,12-13H2/t15?,17-,19?,20?/m0/s1
InChIKeyGVZKPUKKQRGGIJ-HNNYVNQUSA-N
MW316.46 g/mol
LogP3.73
Rot. Bonds4

About 2-[(4R)-6-fluoro-2,3,4,9a-tetrahydro-1H-benzo[7]annulen-4-yl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine

2-[(4R)-6-fluoro-2,3,4,9a-tetrahydro-1H-benzo[7]annulen-4-yl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine (PubChem CID 163599008) has the molecular formula C20H29FN2 and a molecular weight of 316.46 g/mol. Its IUPAC name is 2-[(4R)-6-fluoro-2,3,4,9a-tetrahydro-1H-benzo[7]annulen-4-yl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-[(4R)-6-fluoro-2,3,4,9a-tetrahydro-1H-benzo[7]annulen-4-yl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
PubChem CID163599008
Molecular FormulaC20H29FN2
Molecular Weight316.46 g/mol
Exact Mass316.23
IUPAC Name2-[(4R)-6-fluoro-2,3,4,9a-tetrahydro-1H-benzo[7]annulen-4-yl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
SMILESFC1=CC=CC2CCC[C@H](C3CC3NCC3CCNCC3)C2=C1
InChIInChI=1S/C20H29FN2/c21-16-5-1-3-15-4-2-6-17(18(15)11-16)19-12-20(19)23-13-14-7-9-22-10-8-14/h1,3,5,11,14-15,17,19-20,22-23H,2,4,6-10,12-13H2/t15?,17-,19?,20?/m0/s1
InChIKeyGVZKPUKKQRGGIJ-HNNYVNQUSA-N
XLogP3.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.46
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(4R)-6-fluoro-2,3,4,9a-tetrahydro-1H-benzo[7]annulen-4-yl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine with MolForge

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Related Compounds

(2R)-2-(2,5-difluorophenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 138723133
3-(piperidin-4-ylmethylamino)cyclobutan-1-ol
CID 79707508
N-(piperidin-4-ylmethyl)cyclododecanamine
CID 83958053
(1R,2S,6S,7S,8S)-N-(cyclopropylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 98119188
(2R)-N-(piperidin-4-ylmethyl)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine
CID 146473952
N-(azepan-4-ylmethyl)oxan-2-amine
CID 105466296
2-(2-phenylethenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine;dihydrochloride
CID 153307593
2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 78097199
1-cyclobutyl-1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)methanamine
CID 119932506
methanamine;2-[(E)-2-phenylethenyl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 145176283
N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
CID 43775635
2,2-dimethyl-3-(piperidin-4-ylmethylamino)cyclobutan-1-ol
CID 114628965

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-6-fluoro-2,3,4,9a-tetrahydro-1H-benzo[7]annulen-4-yl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine?
The IUPAC name of 2-[(4R)-6-fluoro-2,3,4,9a-tetrahydro-1H-benzo[7]annulen-4-yl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine (CID 163599008) is 2-[(4R)-6-fluoro-2,3,4,9a-tetrahydro-1H-benzo[7]annulen-4-yl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for 2-[(4R)-6-fluoro-2,3,4,9a-tetrahydro-1H-benzo[7]annulen-4-yl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for 2-[(4R)-6-fluoro-2,3,4,9a-tetrahydro-1H-benzo[7]annulen-4-yl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine is FC1=CC=CC2CCC[C@H](C3CC3NCC3CCNCC3)C2=C1.
What is the InChIKey of 2-[(4R)-6-fluoro-2,3,4,9a-tetrahydro-1H-benzo[7]annulen-4-yl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine?
The InChIKey is GVZKPUKKQRGGIJ-HNNYVNQUSA-N. The full InChI is InChI=1S/C20H29FN2/c21-16-5-1-3-15-4-2-6-17(18(15)11-16)19-12-20(19)23-13-14-7-9-22-10-8-14/h1,3,5,11,14-15,17,19-20,22-23H,2,4,6-10,12-13H2/t15?,17-,19?,20?/m0/s1.
What are the key properties of 2-[(4R)-6-fluoro-2,3,4,9a-tetrahydro-1H-benzo[7]annulen-4-yl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine?
2-[(4R)-6-fluoro-2,3,4,9a-tetrahydro-1H-benzo[7]annulen-4-yl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine has a molecular weight of 316.46 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-6-fluoro-2,3,4,9a-tetrahydro-1H-benzo[7]annulen-4-yl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 163599008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).